Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 5/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9066328 | 0.80 | AKR1C1 (0.46) | OPRM1OPRK1OPRL1AKR1C1 | |
| SCHEMBL9618251 | 0.75 | AKR1C1 (0.52) | OPRM1OPRD1AKR1C1 | |
| SCHEMBL4639317 | 0.75 | NPSR1 (0.38) | — | |
| SCHEMBL2857850 | 0.70 | OPRM1 (0.45) | OPRM1OPRK1OPRL1OPRD1ALDH1A1 | |
| SCHEMBL21239901 | 0.70 | SLC6A4 (0.50) | OPRM1OPRK1OPRL1CYP2D6 | |
| SCHEMBL15352663 | 0.70 | AKR1C1 (0.47) | AKR1C1 | |
| SCHEMBL16880857 | 0.68 | AKR1C1 (0.42) | OPRM1OPRK1OPRL1OPRD1CYP2D6 | |
| Hydrogen Peroxide SCHEMBL11527807 | 0.67 | SLC6A4 (0.56) | AKR1C1 | |
| SCHEMBL28071759 | 0.67 | OPRM1 (0.36) | OPRM1OPRK1OPRL1OPRD1CYP2D6 | |
| SCHEMBL150238 | 0.67 | OPRL1 (0.44) | OPRM1OPRK1OPRL1AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092216-A1 | CARBOCYCLIC SULFONE ROR MODULATORS | Bristol-Myers Squibb Company (US) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015103508-A1 | CARBOCYCLIC SULFONE RORγ MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-09 | — | — | WO | disclosed |