Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | VCP | P55072 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6636642 | 0.85 | DAO (0.47) | DAOCYP1A2CYP2A6VCPCYP3A4 | |
| SCHEMBL6639145 | 0.84 | CYP1A2 (0.48) | DAOCYP1A2CYP2A6VCPCYP3A4 | |
| SCHEMBL6391680 | 0.82 | CYP1A2 (0.43) | DAOCYP1A2CYP2A6CYP3A4CYP2D6 | |
| SCHEMBL6643920 | 0.79 | RAB9A (0.56) | DAOCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8136440 | 0.78 | HTT (0.40) | DAOCYP1A2CYP2A6CYP3A4CYP2D6 | |
| SCHEMBL8125458 | 0.78 | HSP90AA1 (0.44) | DAOCYP1A2CYP2A6CYP3A4CYP2D6 | |
| SCHEMBL8599345 | 0.78 | HTR2A (0.43) | DAOCYP1A2CYP2A6CYP3A4CYP2D6 | |
| SCHEMBL6639172 | 0.76 | CXCR2 (0.47) | DAOCYP1A2VCPPDE7ARAB9A | |
| SCHEMBL6635668 | 0.76 | RAB9A (0.43) | CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6634792 | 0.76 | ALDH1A1 (0.44) | DAOCYP1A2CYP2A6RAB9AHTT |
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-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1247804-A1 | Pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2002-10-09 | — | — | EP | disclosed |