Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 9/20 | 0.35 |
| ▸ | CNR1 | P21554 | 6/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8646037 | 0.90 | CNR1 (0.32) | CNR2CNR1OPRM1TRPV1CYP1A1 | |
| SCHEMBL8653311 | 0.86 | SPHK1 (0.33) | PTGS2CYP3A4CNR2CNR1OPRM1 | |
| SCHEMBL9067655 | 0.86 | SPHK1 (0.33) | PTGS2CYP3A4CNR2CNR1OPRM1 | |
| SCHEMBL8649733 | 0.84 | — | — | |
| SCHEMBL8650738 | 0.83 | — | — | |
| SCHEMBL8651337 | 0.76 | — | — | |
| SCHEMBL9067667 | 0.76 | — | — | |
| SCHEMBL8653215 | 0.74 | OPRL1 (0.31) | — | |
| SCHEMBL8653211 | 0.74 | OPRL1 (0.31) | — | |
| SCHEMBL8650323 | 0.74 | CNR2 (0.36) | CNR2CNR1SLC6A2SLC6A3 |
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-5800734-A | 1-fluorocyclohexene-difluorophenyl derivatives | ROLIC AG (CH) | 1998-09-01 | — | — | US | disclosed |
| EP-0736513-A1 | 1-Fluorcyclohexene-difluorphenyl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1996-10-09 | — | — | EP | disclosed |