Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7107957 | 0.84 | CYP1A2 (0.52) | CYP1A2LMNACYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL7107955 | 0.84 | CYP1A2 (0.52) | CYP1A2LMNACYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL5074691 | 0.77 | NFE2L2 (0.50) | CYP1A2HTR2ALMNACYP3A4HIF1A | |
| SCHEMBL28184213 | 0.73 | CYP3A4 (0.47) | CYP1A2LMNACYP3A4ALDH1A1GAA | |
| SCHEMBL9777486 | 0.73 | IDO1 (0.58) | PAMHTR2ALMNAALDH1A1MAPK1 | |
| SCHEMBL4863423 | 0.73 | IDO1 (0.58) | PAMHTR2ALMNAALDH1A1MAPK1 | |
| SCHEMBL1635965 | 0.70 | CYP1A2 (0.49) | CYP1A2LMNAALDH1A1GAAMAPK1 | |
| SCHEMBL5076198 | 0.70 | CYP1A2 (0.49) | CYP1A2HTR2ALMNAALDH1A1GAA | |
| SCHEMBL2418539 | 0.70 | CYP19A1 (0.50) | CYP1A2LMNAALDH1A1GAANPSR1 | |
| SCHEMBL28853030 | 0.70 | CYP1A2 (0.45) | CYP1A2LMNACYP3A4ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-104230770-A | Styryl sulfone compound, preparation method and application thereof as neuroprotective agent | HUAXIASHENGSHENG PHARMACEUTICAL BEIJING CO LTD | 2014-12-24 | — | — | CN | disclosed |