Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434607 | 0.82 | CYP1A2 (0.53) | NAPRTMAPK1CYP1A2CYP3A4CYP1A1 | |
| SCHEMBL9434219 | 0.78 | ALDH1A1 (0.49) | NAPRTMAPK1CYP1A2CYP3A4NQO2 | |
| SCHEMBL9433797 | 0.77 | NAPRT (0.51) | NAPRTCYP1A2CYP3A4CYP2D6IDO1 | |
| SCHEMBL9434333 | 0.76 | RAB9A (0.60) | NAPRTCYP1A2CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL10637111 | 0.74 | NQO2 (0.52) | MAPK1CYP1A2CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL10637106 | 0.74 | NQO2 (0.52) | MAPK1CYP1A2CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL9433705 | 0.74 | CYP1A2 (0.46) | NAPRTMAPK1CYP1A2CYP3A4CYP1A1 | |
| SCHEMBL11547764 | 0.73 | S100A4 (0.44) | CYP1A2NQO2CYP2C19S100A4 | |
| SCHEMBL9433920 | 0.73 | TBXAS1 (0.56) | NAPRTMAPK1CYP1A2CYP3A4CYP1A1 | |
| SCHEMBL30843872 | 0.73 | NCOA3 (0.50) | MAPK1CYP1A2CYP3A4CYP1A1CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5276150-A | Vasodilators, anticoagulants, calcium channel blockers | FUJIREBIO INC. (JP) | 1994-01-04 | — | — | US | disclosed |
| EP-0400660-A1 | 1,4-dihydropyridine derivatives | FUJIREBIO INC. (JP) | 1990-12-05 | — | — | EP | disclosed |