Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 7/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1994199 | 0.84 | GRM2 (0.45) | HTR2CGRM2KDM4EALDH1A1CYP1A2 | |
| SCHEMBL1400685 | 0.81 | PPARD (0.37) | CNR1CNR2KDM4EALDH1A1CYP1A2 | |
| SCHEMBL6561713 | 0.80 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL6561562 | 0.80 | PLA2G2A (0.37) | HTR2CCYP19A1CNR1CNR2KDM4E | |
| SCHEMBL5975117 | 0.78 | NR3C1 (0.41) | HTR2CGRM2KDM4EALDH1A1CYP1A2 | |
| SCHEMBL23397300 | 0.76 | HTR2C (0.37) | HTR2CCYP19A1 | |
| SCHEMBL6559556 | 0.73 | KCNH2 (0.43) | CYP19A1CYP2C9ESR1ESR2 | |
| SCHEMBL29751560 | 0.72 | HTR2C (0.63) | HTR2CCYP19A1KDM4E | |
| SCHEMBL4323537 | 0.72 | HTR2C (0.63) | HTR2CCYP19A1KDM4E | |
| SCHEMBL1760417 | 0.71 | CNR1 (0.50) | CNR1CNR2KDM4EALDH1A1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904079-B1 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0904079-A4 | — | — | 1999-05-06 | — | — | EP | disclosed |
| EP-0904079-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5859051-A | ACETYLPHENOL DERIVATIVES | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1997027857-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |