Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL9759127 | 1.00 | CYP1A2 (0.31) | CYP1A2CYP2C9OPRM1OPRK1OPRL1 | |
| SCHEMBL9759132 | 1.00 | CYP1A2 (0.31) | CYP1A2CYP2C9OPRM1OPRK1OPRL1 | |
| SCHEMBL9758126 | 0.94 | KDM4E (0.33) | — | |
| SCHEMBL9758133 | 0.94 | KDM4E (0.33) | — | |
| SCHEMBL9758129 | 0.94 | KDM4E (0.33) | — | |
| SCHEMBL9758264 | 0.93 | CYP1A2 (0.44) | CYP1A2 | |
| SCHEMBL9758258 | 0.93 | CYP1A2 (0.44) | CYP1A2 | |
| SCHEMBL9758269 | 0.93 | CYP1A2 (0.44) | CYP1A2 | |
| SCHEMBL9757760 | 0.91 | CYP1A2 (0.38) | CYP1A2CYP2C9 | |
| SCHEMBL9757756 | 0.91 | CYP1A2 (0.38) | CYP1A2CYP2C9 |
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-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |