Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6933878 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4576486 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4575549 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6937305 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4575720 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| Hydrochloric Acid SCHEMBL6936025 | 0.99 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6936339 | 0.91 | OPRM1 (0.47) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4576030 | 0.91 | OPRM1 (0.47) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6935969 | 0.91 | OPRM1 (0.47) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6933232 | 0.91 | OPRM1 (0.47) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0649414-B1 | OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES | ARDENT PHARMACEUTICALS INC (US) | 2003-04-16 | — | — | EP | disclosed |
| US-5854249-A | Opioid diarylmethylpiperazines and piperidines | DELTA PHARMACEUTICALS, INC. (US) | 1998-12-29 | — | — | US | disclosed |
| US-5658908-A | RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE | DELTA PHARMACEUTICALS, INC. (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0649414-A1 | OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-04-26 | — | — | EP | disclosed |
| WO-1993015062-A1 | OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-08-05 | — | — | WO | disclosed |