Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7712079 | 0.95 | CYP2D6 (0.49) | CYP2D6CNR2CNR1GGPS1KCNH2 | |
| SCHEMBL7622109 | 0.89 | MAOB (0.42) | CYP2D6SMPD1 | |
| SCHEMBL7615568 | 0.88 | SPR (0.40) | — | |
| SCHEMBL7620391 | 0.88 | CYP2D6 (0.46) | CYP2D6CNR2CNR1GGPS1KCNH2 | |
| Hydrochloric Acid SCHEMBL7615556 | 0.87 | S1PR1 (0.43) | CYP2D6CNR2CNR1GGPS1KCNH2 | |
| SCHEMBL7716382 | 0.85 | MAOB (0.46) | CYP2D6PPARGPPARASMPD1 | |
| SCHEMBL7714053 | 0.83 | CYP2D6 (0.50) | CYP2D6CNR2CNR1GGPS1KCNH2 | |
| Hydrochloric Acid SCHEMBL7615564 | 0.80 | CYP2D6 (0.41) | CYP2D6CNR2CNR1GGPS1KCNH2 | |
| SCHEMBL7624773 | 0.80 | S1PR1 (0.51) | PLA2G4B | |
| SCHEMBL8499108 | 0.79 | S1PR1 (0.53) | PLA2G4B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778263-B1 | BENZENE COMPOUND AND MEDICINAL USE THEREOF | WELFIDE CORP (JP) | 2002-01-09 | — | — | EP | disclosed |