Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.51 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002270 | 0.80 | KMT2A (0.60) | HTR2AHTR2CKCNH2CA12CA1 | |
| SCHEMBL20003016 | 0.79 | RORC (0.50) | RORCHTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL20002502 | 0.76 | L3MBTL1 (0.64) | RAB9AALDH1A1 | |
| SCHEMBL14413535 | 0.75 | EPHX2 (0.47) | RORCHTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL20003085 | 0.75 | PROKR1 (0.44) | HTR2AHTR2CKCNH2CA12CA1 | |
| SCHEMBL20002221 | 0.75 | RORC (0.45) | RORCHTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL13890294 | 0.74 | EPHX2 (0.50) | HTR2AHTR2CKCNH2DRD2NPC1 | |
| SCHEMBL20002254 | 0.74 | L3MBTL1 (0.48) | RORCHTR2AHTR2CKCNH2CA12 | |
| SCHEMBL20002244 | 0.73 | RORC (0.46) | RORCHTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL20002907 | 0.73 | RORC (0.42) | RORCHTR2AHTR2CKCNH2DRD2 |
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 |