Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | OXTR | P30559 | 2/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 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 | |
|---|---|---|---|---|
| SCHEMBL15060623 | 0.84 | CYP3A4 (0.44) | KMOCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13017148 | 0.81 | CYP3A4 (0.42) | KMOCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5964023 | 0.81 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL1503537 | 0.77 | KMO (0.49) | KMOCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8184119 | 0.76 | KIF11 (0.54) | TSHRALDH1A1SLC13A5 | |
| SCHEMBL8304819 | 0.76 | CCR1 (0.50) | KMOCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2406803 | 0.76 | ALOX5AP (0.48) | KMOCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1998938 | 0.76 | PDCD1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL25303596 | 0.75 | KMO (0.47) | KMOCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5963839 | 0.75 | KMO (0.43) | KMOCYP1A2CYP3A4CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5872136-A | Arylheteroaryl inhibitors of farnesyl-protein transferase | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| EP-0891361-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036901-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-10-09 | — | — | WO | disclosed |