Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL9434607 | 0.91 | CYP1A2 (0.53) | CYP1A2CYP1A1CYP2D6CYP1B1ALDH1A1 | |
| SCHEMBL9434718 | 0.79 | NAPRT (0.50) | CYP1A2ALDH1A1MAPTHPGDNAPRT | |
| SCHEMBL9434583 | 0.79 | KMT2A (0.49) | CYP1A2CYP2D6ALDH1A1MAPTHPGD | |
| SCHEMBL22319877 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP1A1CYP2D6CYP1B1ALDH1A1 | |
| SCHEMBL9434498 | 0.78 | NAPRT (0.49) | CYP1A2CYP1A1CYP2D6CYP1B1ALDH1A1 | |
| SCHEMBL9433799 | 0.78 | MAPT (0.61) | CYP1A2CYP2D6ALDH1A1MAPTHPGD | |
| SCHEMBL9433617 | 0.78 | HSD11B1 (0.50) | CYP1A2ALDH1A1MAPTHPGDNAPRT | |
| SCHEMBL9433573 | 0.78 | NAPRT (0.49) | CYP1A2CYP1A1CYP2D6CYP1B1ALDH1A1 | |
| SCHEMBL9433920 | 0.77 | TBXAS1 (0.56) | CYP1A2CYP1A1CYP2D6CYP1B1MAPT | |
| SCHEMBL3936765 | 0.77 | CDK8 (0.55) | CYP1A2CYP1A1CYP2D6CYP1B1ALDH1A1 |
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 |