Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002737 | 0.79 | SLC22A12 (0.33) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16886239 | 0.76 | SLC22A12 (0.31) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20002859 | 0.73 | — | — | |
| SCHEMBL20002774 | 0.70 | ACHE (0.36) | — | |
| SCHEMBL865078 | 0.68 | CYP1A2 (0.41) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16886235 | 0.68 | ACHE (0.34) | — | |
| SCHEMBL22897522 | 0.68 | TACR1 (0.34) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8750400 | 0.66 | CYP1A2 (0.39) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16241899 | 0.65 | SLC22A12 (0.38) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17055828 | 0.63 | SLC22A12 (0.37) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |