Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 10/20 | 0.33 |
| ▸ | CNR2 | P34972 | 7/20 | 0.33 |
| ▸ | CNR1 | P21554 | 5/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | MLNR | O43193 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8653311 | 1.00 | SPHK1 (0.33) | SPHK1CNR2CNR1OPRM1TRPV1 | |
| SCHEMBL9067667 | 0.91 | — | — | |
| SCHEMBL8651337 | 0.91 | — | — | |
| SCHEMBL8649855 | 0.86 | — | — | |
| SCHEMBL9067503 | 0.86 | — | — | |
| SCHEMBL8650866 | 0.86 | PTGS2 (0.36) | SPHK1CNR2CNR1OPRM1TRPV1 | |
| SCHEMBL8646060 | 0.82 | OPRM1 (0.30) | OPRM1CYP3A4PTGS2 | |
| SCHEMBL8646062 | 0.82 | OPRM1 (0.30) | OPRM1CYP3A4PTGS2 | |
| SCHEMBL8647442 | 0.81 | CNR1 (0.31) | CNR2CNR1ACE2 | |
| SCHEMBL8646052 | 0.81 | — | — |
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-0736513-A1 | 1-Fluorcyclohexene-difluorphenyl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1996-10-09 | — | — | EP | disclosed |