Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12369504 | 0.96 | GPR3 (0.59) | GPR3CYP2A6CYP1A2TDP1KDM4E | |
| SCHEMBL7657283 | 0.89 | GPR3 (0.53) | GPR3CYP2A6CYP1A2TDP1KDM4E | |
| SCHEMBL2723529 | 0.79 | CYP1A2 (0.52) | GPR3CYP2A6CYP1A2TDP1KDM4E | |
| SCHEMBL17816158 | 0.79 | CYP1A2 (0.52) | GPR3CYP2A6CYP1A2TDP1KDM4E | |
| SCHEMBL2662305 | 0.78 | ALDH1A1 (0.48) | GPR3CYP1A2PIM1LMNACYP2C9 | |
| SCHEMBL2662887 | 0.78 | TRPV1 (0.49) | GPR3CYP1A2KDM4EPIM1CES1 | |
| SCHEMBL18210779 | 0.78 | CYP2A6 (0.56) | GPR3CYP2A6CYP1A2TDP1KDM4E | |
| SCHEMBL12054398 | 0.77 | CYP2A6 (0.67) | CYP2A6CYP1A2TDP1RAB9AGAA | |
| SCHEMBL12054396 | 0.77 | CYP2A6 (0.67) | CYP2A6CYP1A2TDP1RAB9AGAA | |
| SCHEMBL2645509 | 0.77 | CYP2A6 (0.48) | GPR3CYP2A6CYP1A2TDP1KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7799818-B2 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. (US) | 2010-09-21 | — | — | US | disclosed |
| US-7598398-B2 | Acyl indoles, compositions containing such compounds and methods of use | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-7598285-B2 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK & CO., INC (US) | 2009-10-06 | — | — | US | disclosed |
| US-20090176854-A1 | N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance | MERCK SHARP & DOHME LLC | 2009-07-09 | — | — | US | disclosed |
| EP-1756064-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2008-05-14 | — | — | EP | disclosed |
| US-20070088071-A1 | Acyl indoles, compositions containing such compounds and methods of use | MERCK SHARP & DOHME LLC | 2007-04-19 | — | — | US | disclosed |
| WO-2005121097-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| US-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME LLC | 2005-12-08 | — | — | 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 (3 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-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | GPR3 2522/4885CYP2A6 441/4885CYP1A2 84/4885 |
| US-20090176854-A1 | N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance | GOT2, GOT1, IAPP | GPR3 2280/4885CYP2A6 1484/4885CYP1A2 281/4885 |
| US-20070088071-A1 | Acyl indoles, compositions containing such compounds and methods of use | GPR119, IAPP, GLP1R | GPR3 143/4885CYP2A6 1589/4885CYP1A2 1260/4885 |
“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.