Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | CDYL | Q9Y232 | 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 | |
|---|---|---|---|---|
| SCHEMBL10423976 | 0.83 | NQO2 (0.49) | NQO2CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5609972 | 0.81 | NQO2 (0.63) | NQO2CA2MTNR1ACYP1A2CYP2C19 | |
| SCHEMBL13911250 | 0.79 | NQO2 (0.57) | NQO2CA2MTNR1ACYP1A2CYP2C19 | |
| SCHEMBL7466269 | 0.78 | MTNR1A (0.52) | NQO2CA2MTNR1AL3MBTL1TDP1 | |
| SCHEMBL31300446 | 0.77 | NQO2 (0.54) | NQO2CA2MTNR1ACYP1A2CYP2C19 | |
| SCHEMBL497025 | 0.77 | NQO2 (0.54) | NQO2CA2MTNR1ACYP1A2CYP2C19 | |
| SCHEMBL31078221 | 0.77 | NQO2 (0.54) | NQO2CA2MTNR1ACYP1A2CYP2C19 | |
| SCHEMBL6511791 | 0.77 | NQO2 (0.54) | NQO2CA2MTNR1ACYP1A2CYP2C19 | |
| SCHEMBL5513121 | 0.77 | CA2 (0.57) | NQO2CA2MTNR1ACYP1A2CYP2C19 | |
| SCHEMBL65445 | 0.77 | NQO2 (0.54) | NQO2CA2MTNR1ACYP1A2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0281283-B1 | HETEROCYCLIC COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-10 | — | — | EP | disclosed |
| 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 |