Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL22745375 | 0.88 | CYP3A4 (0.47) | CYP11B1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL6213351 | 0.86 | CYP17A1 (0.39) | CYP11B1CYP17A1CYP21A2CYP3A4CYP1A2 | |
| SCHEMBL8331340 | 0.82 | CYP11B1 (0.53) | CYP11B1CYP17A1CYP21A2CYP3A4CYP19A1 | |
| SCHEMBL5224027 | 0.82 | CYP11B1 (0.53) | CYP11B1CYP17A1CYP21A2CYP3A4CYP19A1 | |
| SCHEMBL5228601 | 0.81 | CYP3A4 (0.41) | CYP11B1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL25159951 | 0.77 | ENPP2 (0.39) | CYP11B1CYP17A1CYP21A2CYP3A4CYP1A2 | |
| SCHEMBL9426009 | 0.77 | CYP3A4 (0.39) | CYP11B1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3531362 | 0.77 | CYP19A1 (0.46) | CYP11B1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3832736 | 0.75 | IDO1 (0.58) | CYP11B1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL31420979 | 0.75 | IDO1 (0.58) | CYP11B1CYP3A4CYP1A2CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023061263-A1 | SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 北京泰德制药股份有限公司 | 2023-04-20 | — | — | WO | disclosed |
| US-5276149-A | Antibiotics | MERCK & CO., INC. (US) | 1994-01-04 | — | — | US | disclosed |
| EP-0538017-A1 | 2-(N-Imidazoliumphenyl)-carbapenems | MERCK & CO. INC. (US) | 1993-04-21 | — | — | EP | disclosed |