Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL586305 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL3047898 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL30487942 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL17435555 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL3779748 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL791971 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL9222416 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL8358132 | 0.77 | KCNA3 (0.59) | CYP1A2CYP2C19CYP2C9MTNR1ATDP1 | |
| SCHEMBL8669907 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL11051055 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1747222-B1 | PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR | GALAPAGOS NV (BE) | 2014-04-16 | — | — | EP | disclosed |