Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA4 | P22748 | 3/20 | 0.51 |
| ▸ | CA7 | P43166 | 3/20 | 0.51 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | CA3 | P07451 | 2/20 | 0.51 |
| ▸ | CA6 | P23280 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL177458 | 0.84 | HPGD (0.70) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL28044304 | 0.81 | CYP2D6 (0.51) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL4450673 | 0.81 | KDM4E (0.67) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL6240000 | 0.78 | CYP2D6 (0.70) | CYP2D6ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL29233648 | 0.77 | KDM4E (0.61) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL1287537 | 0.76 | ALDH1A1 (0.66) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL178096 | 0.76 | ALDH1A1 (0.66) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL31367874 | 0.76 | CYP2D6 (0.59) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL29233580 | 0.76 | HSD17B10 (0.64) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| SCHEMBL29233642 | 0.75 | CYP1A2 (0.84) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | claimed |
| CN-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | disclosed |