Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TLK2 | Q86UE8 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HSPA5 | P11021 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL905574 | 1.00 | NPC1 (0.41) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| SCHEMBL905572 | 1.00 | NPC1 (0.41) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| Toluene SCHEMBL31547896 | 0.88 | NPC1 (0.50) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| SCHEMBL538187 | 0.79 | NPC1 (0.39) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| SCHEMBL17368455 | 0.78 | NPC1 (0.45) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| SCHEMBL3672958 | 0.77 | NPC1 (0.41) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| SCHEMBL5324109 | 0.74 | NPC1 (0.47) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| SCHEMBL41312 | 0.73 | — | — | |
| Phosphine SCHEMBL14798918 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL18170218 | 0.71 | — | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104185628-B | Alkoxy aryl pyrimidine derivatives, containing alkoxy aryl pyrimidine derivatives as active component agricultural and horticultural pesticide and their purposes | 日本农药株式会社 | 2017-03-08 | — | — | CN | disclosed |
| EP-1370533-B1 | IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS | ALLERGAN INC (US) | 2015-05-06 | — | — | EP | disclosed |
| CN-104302644-A | Thiazolecarboxamide derivatives and methods of use thereof | NIHON NOHYAKU CO LTD | 2015-01-21 | — | — | CN | disclosed |
| CN-104185628-A | Arylalkyloxy pyrimidine derivative, pesticide for agricultural and horticultural use containing arylalkyloxy pyrimidine derivative as active ingredient, and use of same | NIHON NOHYAKU CO LTD | 2014-12-03 | — | — | CN | 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-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-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-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-7569584-B2 | 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. (US) | 2009-08-04 | — | — | US | disclosed |
| US-20080319013-A1 | 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) | 2008-12-25 | — | — | US | disclosed |
| EP-1507767-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| US-6841684-B2 | For therapy of chronic pain, glaucoma or elevated intraocular pressure and other diseases with substantially reduced cardiovascular or sedative side effects | ALLERGAN, INC. (US) | 2005-01-11 | — | — | US | disclosed |
| EP-1104407-B1 | COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS | ALLERGAN INC (US) | 2004-12-01 | — | — | EP | 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 |
| WO-2003099795-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2003-12-04 | — | — | WO | disclosed |
| US-20030023098-A1 | Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B/2C adrenergic receptors | ALLERGAN SALES, INC. | 2003-01-30 | — | — | US | disclosed |
| US-20020156076-A1 | Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors | ALLERGAN SALES, INC. | 2002-10-24 | — | — | US | disclosed |
| US-6329369-B1 | ANALGESICS FOR TREATING GLAUCOMA OR ELEVATED PRESSURE AND OTHER DISEASES WITH REDUCED SIDE EFFECTS BY TREATING A MAMMAL IN NEED THEREOF AN AGONIST OF ALPHA 2B OR ALPHA 2B/2C ADRENERGIC RECEPTOR | ALLERGAN SALES, INC. | 2001-12-11 | — | — | US | disclosed |
| EP-1104407-A1 | COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS | Allergan Sales, Inc. (US) | 2001-06-06 | — | — | EP | disclosed |
| WO-2001000586-A1 | COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS | ALLERGAN SALES, INC. (US) | 2001-01-04 | — | — | WO | 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 (4 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 | NPC1 3193/4885RAB9A 3095/4885KMT2A 2123/4885 |
| US-20030023098-A1 | Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B/2C adrenergic receptors | ADRA2B, ADRB2, ADRA2C | NPC1 1160/4885RAB9A 923/4885KMT2A 3278/4885 |
| US-20020156076-A1 | Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors | ADRB2, ADRB1, ADRA2B | NPC1 850/4885RAB9A 3415/4885KMT2A 2126/4885 |
| US-20080319013-A1 | 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 | ADRB2, ADRA2C, ADRA2B | NPC1 3468/4885RAB9A 2681/4885KMT2A 1423/4885 |
“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.