Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.36 |
| ▸ | REN | P00797 | 3/20 | 0.36 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | MLNR | O43193 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002166 | 0.78 | RORC (0.40) | RORCCYP3A4CYP2C19HRH3 | |
| SCHEMBL20002280 | 0.78 | TACR1 (0.40) | RORC | |
| SCHEMBL20002969 | 0.78 | NOTUM (0.45) | RORC | |
| SCHEMBL20002167 | 0.78 | KDM1A (0.40) | RORC | |
| SCHEMBL20002958 | 0.78 | NOTUM (0.48) | RORC | |
| SCHEMBL20002957 | 0.78 | NOTUM (0.48) | RORC | |
| SCHEMBL20003049 | 0.78 | AKR1C3 (0.51) | CYP2C19 | |
| SCHEMBL20002669 | 0.78 | NOTUM (0.45) | RORC | |
| SCHEMBL20002429 | 0.77 | RORC (0.41) | RORCCA1CA2CA4CA9 | |
| SCHEMBL20002664 | 0.77 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |