Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16889618 | 0.96 | CYP11B1 (0.43) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL16889601 | 0.92 | CYP11B1 (0.44) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL16889624 | 0.90 | CYP11B1 (0.39) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL21983175 | 0.88 | CYP2A6 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL16889398 | 0.87 | CYP11B1 (0.47) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL16889599 | 0.85 | CYP11B1 (0.41) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL16889589 | 0.85 | CYP11B1 (0.45) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL16890767 | 0.85 | CYP11B2 (0.45) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL16889489 | 0.84 | CYP11B1 (0.49) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL21983156 | 0.84 | AHR (0.33) | — |
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-2015102118-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2015-07-09 | — | — | WO | disclosed |