Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4639359 | 0.79 | AKR1C1 (0.56) | AKR1C1OPRM1OPRL1MEN1KMT2A | |
| SCHEMBL5129613 | 0.71 | AKR1C1 (0.47) | AKR1C1CYP2D6MEN1KMT2ACYP1A2 | |
| SCHEMBL4639318 | 0.71 | AKR1C1 (0.57) | AKR1C1ALDH1A1OPRM1OPRL1MEN1 | |
| SCHEMBL4639100 | 0.71 | AKR1C1 (0.63) | AKR1C1MEN1KMT2AHTTNPSR1 | |
| SCHEMBL7602755 | 0.71 | AKR1C1 (0.50) | AKR1C1CYP2D6MEN1KMT2ACYP1A2 | |
| SCHEMBL16880433 | 0.68 | OPRM1 (0.39) | AKR1C1ALDH1A1OPRM1OPRL1OPRK1 | |
| SCHEMBL28071759 | 0.68 | OPRM1 (0.36) | ALDH1A1MMP1MMP2MMP9OPRM1 | |
| SCHEMBL6210059 | 0.67 | ALDH1A1 (0.37) | AKR1C1ALDH1A1OPRM1OPRK1OPRD1 | |
| SCHEMBL27598712 | 0.67 | OPRM1 (0.36) | ALDH1A1MMP1MMP2MMP9OPRM1 | |
| SCHEMBL19469690 | 0.66 | ELOVL1 (0.47) | AKR1C1CYP2D6MEN1KMT2ACYP1A2 |
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 |