Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002187 | 0.88 | RORC (0.44) | RORCRAB9AALDH1A1SMN1; SMN2GAA | |
| SCHEMBL20002819 | 0.88 | RORC (0.44) | RORCRAB9AALDH1A1SMN1; SMN2GAA | |
| SCHEMBL20002176 | 0.82 | TACR3 (0.38) | RORCCNR2RAB9ADPP4TACR3 | |
| SCHEMBL20003052 | 0.80 | HSD11B1 (0.38) | RORCRAB9AALDH1A1SMN1; SMN2GAA | |
| SCHEMBL20002990 | 0.78 | RORC (0.40) | RORCCYP3A4CYP2C19HRH3 | |
| SCHEMBL20002622 | 0.78 | RORC (0.49) | RORCCYP3A4CYP2C19RAB9AALDH1A1 | |
| SCHEMBL20003044 | 0.77 | RORC (0.40) | RORCRAB9AALDH1A1SMN1; SMN2GAA | |
| SCHEMBL20002445 | 0.75 | RORC (0.41) | RORCRAB9ASMN1; SMN2NPC1ATM | |
| SCHEMBL20003241 | 0.75 | RORC (0.41) | RORCRAB9AALDH1A1SMN1; SMN2GAA | |
| SCHEMBL20002171 | 0.75 | KMT2A (0.38) | RORCRAB9ASMN1; SMN2MAPTNPC1 |
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 |