Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7295139 | 0.82 | TAAR1 (0.39) | TAAR1HTR1AOPRM1 | |
| SCHEMBL9433480 | 0.80 | TAAR1 (0.32) | TAAR1HTR1AOPRM1 | |
| SCHEMBL9433887 | 0.79 | TAAR1 (0.39) | TAAR1HTR1A | |
| SCHEMBL9433519 | 0.77 | TAAR1 (0.36) | TAAR1HTR1A | |
| SCHEMBL9434378 | 0.77 | TAAR1 (0.39) | TAAR1HTR1AOPRM1 | |
| SCHEMBL9433678 | 0.75 | TAAR1 (0.43) | TAAR1CYP1A2CYP2D6CYP1B1HTR1A | |
| SCHEMBL9434012 | 0.74 | CYP11B1 (0.38) | CYP1A2CYP2D6 | |
| SCHEMBL10432284 | 0.74 | CYP11B1 (0.38) | CYP1A2CYP2D6 | |
| SCHEMBL7299655 | 0.65 | TAAR1 (0.41) | TAAR1HTR1A | |
| SCHEMBL5857212 | 0.64 | IDO1 (0.49) | — |
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 |