Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002774 | 0.90 | ACHE (0.36) | — | |
| SCHEMBL16886239 | 0.81 | SLC22A12 (0.31) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18799682 | 0.81 | RORC (0.40) | — | |
| SCHEMBL20002806 | 0.79 | SLC22A12 (0.32) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16886260 | 0.74 | RORC (0.39) | — | |
| SCHEMBL20002812 | 0.74 | TAAR1 (0.46) | ATM | |
| SCHEMBL22897522 | 0.73 | TACR1 (0.34) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20002194 | 0.73 | KDM1A (0.39) | — | |
| SCHEMBL16886235 | 0.73 | ACHE (0.34) | — | |
| SCHEMBL20002758 | 0.72 | RORC (0.36) | PDK1PDK2PDK3PDK4 |
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 |