Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | ABL1 | P00519 | 5/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7258670 | 0.93 | CYP1A2 (0.51) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7257184 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6 | |
| SCHEMBL7253990 | 0.82 | CYP11B2 (0.37) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7258682 | 0.80 | GCGR (0.45) | CYP2A6CYP11B2CYP11B1RPS6KA3CYP17A1 | |
| SCHEMBL7257178 | 0.80 | CYP3A4 (0.47) | CYP3A4CYP2A6CYP2C9CYP2C19RPS6KA3 | |
| SCHEMBL7257212 | 0.80 | APP (0.48) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7257157 | 0.78 | CACNA1B (0.39) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL21757505 | 0.75 | OPRL1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21757521 | 0.75 | OPRL1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7257202 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003027105-A1 | SUBSTITUTED 3-PYRIDYL THIOPHENES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |