Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8766763 | 1.00 | CYP3A4 (0.42) | CYP3A4CYP2C9APPESR2OPRL1 | |
| SCHEMBL8768429 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2C9APPESR2OPRL1 | |
| SCHEMBL8768437 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2C9APPESR2OPRL1 | |
| SCHEMBL8767541 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2C9APPESR2OPRL1 | |
| SCHEMBL8767526 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2C9APPESR2OPRL1 | |
| SCHEMBL8767491 | 0.89 | ESR2 (0.44) | CYP3A4CYP2C9ESR2OPRL1CYP2D6 | |
| SCHEMBL8767483 | 0.89 | ESR2 (0.44) | CYP3A4CYP2C9ESR2OPRL1CYP2D6 | |
| SCHEMBL14526018 | 0.88 | CYP2C9 (0.43) | CYP3A4CYP2C9APPESR2CYP2D6 | |
| SCHEMBL18895834 | 0.87 | OPRL1 (0.43) | CYP3A4CYP2C9ESR2OPRL1CYP2D6 | |
| SCHEMBL18411541 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C9APPCYP2D6CYP2C19 |
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-0789067-A1 | Cyclopentyl derivatives useful as liquid crystals | Rolic AG (CH) | 1997-08-13 | — | — | EP | disclosed |