Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28044297 | 0.90 | TAS1R3 (0.59) | MAPTCASP3SENP7TDP1KDM4E | |
| SCHEMBL28044305 | 0.85 | MAPT (0.45) | MAPTCASP3SENP7TDP1KDM4E | |
| SCHEMBL28044307 | 0.83 | TAS1R3 (0.39) | MAPTCASP3SENP7TDP1TAS1R3 | |
| SCHEMBL28044384 | 0.82 | NPC1 (0.39) | MAPTCASP3SENP7TDP1KDM4E | |
| SCHEMBL28044290 | 0.81 | CYP1A2 (0.57) | CYP2D6MAPTCASP3SENP7TDP1 | |
| SCHEMBL4450673 | 0.80 | KDM4E (0.67) | CYP2D6MAPTCASP3SENP7TDP1 | |
| SCHEMBL28044329 | 0.76 | CYP1A2 (0.53) | CYP2D6MAPTCASP3SENP7TDP1 | |
| SCHEMBL31367874 | 0.75 | CYP2D6 (0.59) | CYP2D6MAPTCASP3SENP7TDP1 | |
| SCHEMBL1287537 | 0.75 | ALDH1A1 (0.66) | CYP2D6MAPTCASP3SENP7TDP1 | |
| SCHEMBL178096 | 0.75 | ALDH1A1 (0.66) | CYP2D6MAPTCASP3SENP7TDP1 |
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 |