Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL15562147 | 0.83 | NQO2 (0.46) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL9516573 | 0.83 | NQO2 (0.54) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3245793 | 0.79 | NQO2 (0.57) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL1719111 | 0.79 | CA2 (0.45) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL8109577 | 0.79 | CA2 (0.55) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL20184185 | 0.78 | CA2 (0.44) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL7571317 | 0.77 | TSHR (0.38) | CA2ATML3MBTL1ALDH1A1MAPT | |
| SCHEMBL295141 | 0.77 | CA2 (0.53) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL40373 | 0.77 | TDP1 (0.55) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5507285 | 0.76 | CA2 (0.61) | NQO2CA2CYP1A2CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4910212-A | Containing 1,2,4-triazole or imidazole ring | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-03-20 | — | — | US | disclosed |
| EP-0281283-A1 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-07 | — | — | EP | disclosed |