Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5727432 | 0.88 | KDR (0.33) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL5726927 | 0.87 | ALDH1A1 (0.34) | MAPK1ESR1ALDH1A1HPGDNPC1 | |
| SCHEMBL5725751 | 0.87 | CYP1A2 (0.33) | MAPK1CYP1A2CYP2C19ESR1ACHE | |
| SCHEMBL5582281 | 0.80 | HDAC1 (0.43) | ACHEALDH1A1HPGDKDM4E | |
| SCHEMBL5582287 | 0.78 | HDAC1 (0.39) | RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL5343888 | 0.77 | BAZ2B (0.47) | CYP1A2ALDH1A1THRATHRBHPGD | |
| SCHEMBL2416616 | 0.74 | ACHE (0.43) | ACHE | |
| SCHEMBL5341323 | 0.73 | RXFP1 (0.35) | MAPK1CYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL5726370 | 0.70 | KMT2A (0.40) | MAPK1ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL5952753 | 0.70 | ACHE (0.34) | ACHETHRATHRBSGPL1S1PR1 |
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 |