Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 6/20 | 0.32 |
| ▸ | STS | P08842 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 2/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22297755 | 0.94 | SRD5A1 (0.40) | SRD5A1SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL22297464 | 0.94 | SRD5A1 (0.40) | SRD5A1SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL20153523 | 0.94 | SRD5A1 (0.40) | SRD5A1SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL20153507 | 0.94 | SRD5A1 (0.40) | SRD5A1SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL20153556 | 0.80 | SRD5A1 (0.41) | SRD5A1SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL22297451 | 0.74 | AR (0.49) | NOS3NOS1NOS2PNMTRORC | |
| SCHEMBL20153520 | 0.74 | AR (0.49) | NOS3NOS1NOS2PNMTRORC | |
| SCHEMBL20153522 | 0.73 | RORC (0.37) | RORC | |
| SCHEMBL22297736 | 0.73 | RORC (0.37) | RORC | |
| SCHEMBL20153576 | 0.73 | RORC (0.41) | SRD5A1PNMTRORCSTSCA1 |
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-3541786-B1 | TRICYCLIC SULFONES AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| WO-2018089402-A1 | TRICYCLIC SULFONES AS ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |