Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL9845198 | 0.93 | ALDH1A1 (0.34) | KDM4EALDH1A1GAAHPGDCASP1 | |
| SCHEMBL9845179 | 0.76 | CYP4F2 (0.36) | CYP4F2CYP4A11 | |
| SCHEMBL8865994 | 0.73 | CYP3A4 (0.34) | KDM4EALDH1A1GAAHPGDCASP1 | |
| SCHEMBL9845166 | 0.73 | ALDH1A1 (0.32) | ALDH1A1GAACYP4F2CYP4A11 | |
| SCHEMBL9845203 | 0.73 | CYP4F2 (0.35) | CYP4F2CYP4A11 | |
| SCHEMBL8865633 | 0.73 | CYP4F2 (0.34) | ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL8865451 | 0.73 | CYP4F2 (0.34) | ALDH1A1HPGDCYP4F2CYP4A11 | |
| SCHEMBL8865405 | 0.72 | CYP4F2 (0.33) | CYP4F2CYP4A11 | |
| SCHEMBL8865043 | 0.72 | AKT1 (0.31) | KDM4EALDH1A1GAAHPGDCASP1 | |
| SCHEMBL8865787 | 0.71 | CYP4F2 (0.32) | CYP4F2CYP4A11 |
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-0419131-A2 | Acetylenes disubstituted with a phenyl group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |