Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | DCUN1D1 | Q96GG9 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6639377 | 0.84 | DAO (0.47) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6643256 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6636642 | 0.81 | DAO (0.47) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL8571334 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL8135233 | 0.77 | DCUN1D1 (0.44) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL8140476 | 0.77 | DCUN1D1 (0.44) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL8599345 | 0.75 | HTR2A (0.43) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6643920 | 0.73 | RAB9A (0.56) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6391680 | 0.72 | CYP1A2 (0.43) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9092866 | 0.71 | DAO (0.49) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 |
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 |