Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL740927 | 0.87 | HSD11B1 (0.57) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL4773044 | 0.85 | ALDH1A1 (0.67) | ALDH1A1KDM4ECYP2C9SMN1; SMN2L3MBTL1 | |
| SCHEMBL21233205 | 0.85 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10CYP2C9SMN1; SMN2 | |
| SCHEMBL5660651 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KDM4ECYP2C9SMN1; SMN2L3MBTL1 | |
| SCHEMBL7502160 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL10827952 | 0.82 | SMN1; SMN2 (0.54) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL30680404 | 0.82 | SMN1; SMN2 (0.54) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL1327237 | 0.81 | KMT2A (0.56) | ALDH1A1KDM4EHPGDL3MBTL1NPC1 | |
| SCHEMBL22952461 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP2C9SMN1; SMN2L3MBTL1 | |
| SCHEMBL13423082 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10CYP2C9SMN1; SMN2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2024359-A1 | COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA | AstraZeneca AB (SE) | 2009-02-18 | — | — | EP | claimed |
| WO-2007126362-A1 | COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | WO | claimed |
| US-20060079543-A1 | Anilino-pyrimidine analogs | WYETH (US) | 2006-04-13 | — | — | US | claimed |
| US-8058475-B2 | Substituted cyclohexylmethyl compounds | GRUENENTHAL GMBH (DE) | 2011-11-15 | — | — | US | disclosed |
| US-7799915-B2 | Anilino-pyrimidine analogs | WYETH LLC (US) | 2010-09-21 | — | — | US | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | GRUENENTHAL GMBH (DE) | 2009-11-19 | — | — | US | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20060079543-A1 | Anilino-pyrimidine analogs | WYETH (US) | 2006-04-13 | — | — | US | disclosed |
| US-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | TAISHO PHARMACEUTICAL CO., LTD. | 2005-09-08 | — | — | 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 (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-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | HCRTR2, MCHR1, MCHR2 | ALDH1A1 2036/4885KDM4E 1190/4885HPGD 2310/4885 |
| US-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R | ALDH1A1 1333/4885KDM4E 940/4885HPGD 718/4885 |
| US-20060079543-A1 | Anilino-pyrimidine analogs | DPYD, TYMP, ADORA3 | ALDH1A1 1072/4885KDM4E 2319/4885HPGD 2648/4885 |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | BACE1, BACE2, APP | ALDH1A1 2133/4885KDM4E 4082/4885HPGD 1390/4885 |
“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.