Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4593134 | 0.82 | ALDH1A1 (0.32) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL27826457 | 0.76 | MPL (0.45) | HSP90AA1 | |
| SCHEMBL23361475 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL21583430 | 0.69 | ALDH1A1 (0.55) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL3625881 | 0.69 | HSP90AB1 (0.46) | ALDH1A1HSP90AB1NOS3NOS1NOS2 | |
| SCHEMBL8018804 | 0.66 | KMT2A (0.49) | ALDH1A1GAAHSP90AB1NOS3NOS1 | |
| SCHEMBL30718977 | 0.66 | KMT2A (0.49) | ALDH1A1GAAHSP90AB1NOS3NOS1 | |
| SCHEMBL11908093 | 0.66 | HASPIN (0.39) | CYP1A2CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL14267870 | 0.65 | ADORA2A (0.59) | ALDH1A1HSP90AB1HSP90AA1 | |
| SCHEMBL29502715 | 0.65 | ADORA2A (0.59) | ALDH1A1HSP90AB1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1928842-A1 | 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007039470-A1 | 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2007-04-12 | — | — | WO | disclosed |