Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15080472 | 0.90 | — | — | |
| SCHEMBL12016538 | 0.87 | OPRD1 (0.58) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL5078483 | 0.85 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4591150 | 0.85 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4577159 | 0.85 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6934879 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6934885 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4576016 | 0.82 | OPRD1 (0.68) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL7994344 | 0.82 | OPRD1 (0.68) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6374535 | 0.82 | OPRD1 (0.68) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8476280-B2 | Modulate contraction, relaxation of muscles | VERSI GROUP, LLC (US) | 2013-07-02 | — | — | US | disclosed |