Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5341323 | 0.88 | RXFP1 (0.35) | CYP1A2CYP2C19NPC1RAB9AMAPK1 | |
| SCHEMBL5726327 | 0.87 | MAPK1 (0.33) | CYP1A2CYP2C19NPC1RAB9AMAPK1 | |
| SCHEMBL5343888 | 0.76 | BAZ2B (0.47) | CYP1A2NPC1RAB9ATHRATHRB | |
| SCHEMBL2420985 | 0.75 | ACHE (0.42) | ACHE | |
| SCHEMBL5727432 | 0.74 | KDR (0.33) | NPC1RAB9AMETAP1ALDH1A1PDE3B | |
| SCHEMBL5726927 | 0.74 | ALDH1A1 (0.34) | NPC1RAB9AMAPK1METAP1ALDH1A1 | |
| SCHEMBL5953234 | 0.71 | ACHE (0.39) | ACHEMETAP1 | |
| SCHEMBL31046475 | 0.71 | ACHE (0.39) | ACHEMETAP1 | |
| SCHEMBL2414771 | 0.69 | MAOA (0.32) | THRATHRBMETAP1 | |
| SCHEMBL5726370 | 0.69 | KMT2A (0.40) | MAPK1ALDH1A1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1339683-B1 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO INC (US) | 2006-06-14 | — | — | EP | disclosed |
| EP-1339683-A4 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO INC (US) | 2005-07-27 | — | — | EP | disclosed |
| EP-1339683-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002041835-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-05-30 | — | — | WO | disclosed |