Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.32 |
| ▸ | GSK3A | P49840 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 5/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4054517 | 0.84 | PTGS1 (0.34) | — | |
| SCHEMBL1339674 | 0.84 | PTGS1 (0.34) | — | |
| SCHEMBL1339878 | 0.84 | KDM4E (0.41) | KDM4EGAAGFER | |
| SCHEMBL1340042 | 0.81 | DAO (0.32) | DAOTYMP | |
| SCHEMBL1340503 | 0.77 | — | — | |
| SCHEMBL4051689 | 0.75 | TYMP (0.32) | TYMPKDM4EGAAGFER | |
| SCHEMBL4054574 | 0.75 | TYMP (0.32) | TYMPKDM4EGAAGFER | |
| SCHEMBL5801838 | 0.73 | ALDH1A1 (0.33) | ALDH1A1CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL1339881 | 0.71 | MTNR1A (0.48) | — | |
| SCHEMBL1338888 | 0.71 | TYMP (0.38) | ALDH1A1HPGDLMNATYMPMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8071635-B2 | Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; | ALLERGAN, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071635-B2 | Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; | ALLERGAN, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071635-B2 | Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; | ALLERGAN, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8063087-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063087-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063087-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063086-B2 | Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063086-B2 | Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063086-B2 | Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-7960423-B2 | selective to alpha2B and/or alpha2C adrenergic receptors, minimal cardivascular and/or sedatory activity; pain | ALLERGAN, INC (US) | 2011-06-14 | — | — | US | disclosed |
| US-7276522-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-7276522-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ALLERGAN, INC. | 2007-03-29 | — | — | US | disclosed |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ALLERGAN, INC. | 2007-03-29 | — | — | US | disclosed |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ALLERGAN, INC. | 2007-03-29 | — | — | US | disclosed |
| US-7091232-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2006-08-15 | — | — | US | disclosed |
| US-20060149072-A1 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2- thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cyloalkenylmethyl) imidazol-2-ones and related compounds | CHOW KEN | 2006-07-06 | — | — | US | disclosed |
| US-20050267186-A1 | 4-(Substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | CHOW KEN | 2005-12-01 | — | — | US | disclosed |
| US-20050075366-A1 | 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same | ALLERGAN, INC. | 2005-04-07 | — | — | US | disclosed |
| US-20040220402-A1 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. | 2004-11-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040220402-A1 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ADRB2, ADRA2C, ADRB1 | ALDH1A1 669/4885CCNB2 1540/4885CDK1 3175/4885 |
| US-20050267186-A1 | 4-(Substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ADRB2, ADRA2C, ADRA2A | ALDH1A1 591/4885CCNB2 1416/4885CDK1 3621/4885 |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ADRA2A, ADRA2B, ADRB2 | ALDH1A1 485/4885CCNB2 1790/4885CDK1 3797/4885 |
| US-20050075366-A1 | 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same | ADRB2, ADRA2C, ADRA2B | ALDH1A1 340/4885CCNB2 602/4885CDK1 3373/4885 |
| US-20060149072-A1 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2- thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cyloalkenylmethyl) imidazol-2-ones and related compounds | ADRB2, ADRA2C, ADRA2B | ALDH1A1 968/4885CCNB2 1244/4885CDK1 3156/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.