Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3603590 | 0.84 | RAB9A (0.57) | CYP2A6CYP3A4CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL24318549 | 0.75 | CYP2A6 (0.66) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL13035349 | 0.74 | CYP2A6 (1.00) | CYP2A6CYP11B2CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL28139912 | 0.74 | CYP2A6 (0.64) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL14856915 | 0.70 | ESR2 (0.55) | CYP2A6CYP11B2CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL29487253 | 0.70 | CYP11B2 (0.58) | CYP2A6CYP11B2CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL30630392 | 0.70 | ESR2 (0.55) | CYP2A6CYP11B2CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL31264147 | 0.70 | ESR2 (0.55) | CYP2A6CYP11B2CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL3237467 | 0.70 | CYP2A6 (0.58) | CYP2A6CYP11B2CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL31038737 | 0.70 | CYP2A6 (0.58) | CYP2A6CYP11B2CYP3A4CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111655700-B | Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors | 勃林格殷格翰国际有限公司 | 2023-07-18 | — | — | CN | disclosed |