Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 9/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002567 | 0.87 | RORC (0.45) | RORCEPHX2HTR2AHTR2CKCNH2 | |
| SCHEMBL20002622 | 0.80 | RORC (0.49) | RORCCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL20002980 | 0.76 | CYP2C19 (0.59) | RORCCYP3A4CYP2C19EPHX2HTR2A | |
| SCHEMBL20002406 | 0.75 | RORC (0.42) | RORCEPHX2HTR2AHTR2CKCNH2 | |
| SCHEMBL20002866 | 0.74 | RORC (0.49) | RORCCYP3A4CYP2C19EPHX2HTR2A | |
| SCHEMBL20002497 | 0.74 | RORC (0.44) | RORCCCR5PSEN1PSEN2APH1B | |
| SCHEMBL16875533 | 0.74 | RORC (1.00) | RORC | |
| SCHEMBL16875532 | 0.74 | RORC (1.00) | RORC | |
| SCHEMBL20002489 | 0.73 | RORC (0.46) | RORCCYP3A4CYP2C19EPHX2HTR2A | |
| SCHEMBL20002447 | 0.73 | EPHX2 (0.39) | RORCEPHX2HTR2AHTR2CKCNH2 |
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 |