Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | RORC | P51449 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LIPE | Q05469 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002563 | 0.88 | EPHX2 (0.45) | CYP2C19CYP3A4EPHX2HTR2AHTR2C | |
| SCHEMBL20003003 | 0.83 | EPHX2 (0.45) | CYP2C19CYP3A4RORCEPHX2HTR2A | |
| SCHEMBL20002933 | 0.82 | RORC (0.46) | CYP2C19CYP3A4RORCEPHX2HTR2A | |
| SCHEMBL20003031 | 0.81 | EPHX2 (0.44) | CYP2C19CYP3A4RORCEPHX2HTR2A | |
| SCHEMBL20002321 | 0.81 | CCR5 (0.46) | RORCEPHX2 | |
| SCHEMBL20002459 | 0.81 | RORC (0.51) | RORCEPHX2HTR2AHTR2CKCNH2 | |
| SCHEMBL20002322 | 0.81 | PKM (0.60) | RORCEPHX2HTR2AHTR2CKCNH2 | |
| SCHEMBL20002221 | 0.81 | RORC (0.45) | RORCEPHX2HTR2AHTR2CKCNH2 | |
| SCHEMBL20003053 | 0.81 | CCR5 (0.46) | RORCEPHX2 | |
| SCHEMBL20003007 | 0.81 | RORC (0.44) | CYP2C19CYP3A4RORCEPHX2HTR2A |
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 |