Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1643462 | 0.82 | OPRM1 (0.39) | OPRM1OPRL1 | |
| SCHEMBL2395090 | 0.76 | OPRM1 (0.35) | OPRM1OPRL1 | |
| SCHEMBL2390992 | 0.76 | KDM4E (0.37) | — | |
| SCHEMBL2395154 | 0.69 | OPRM1 (0.39) | OPRM1OPRL1 | |
| SCHEMBL2435264 | 0.69 | CYP2D6 (0.35) | TRPA1OPRM1OPRL1 | |
| SCHEMBL28665811 | 0.68 | — | — | |
| SCHEMBL2210148 | 0.68 | ALDH1A1 (0.40) | OPRM1OPRL1 | |
| SCHEMBL2208903 | 0.68 | ALDH1A1 (0.40) | OPRM1OPRL1 | |
| SCHEMBL2390648 | 0.68 | OPRM1 (0.37) | OPRM1OPRL1 | |
| SCHEMBL1642227 | 0.67 | ALDH1A1 (0.39) | — |
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-8013008-B2 | Cyclic amine compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-09-06 | — | — | US | disclosed |