Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9845186 | 0.93 | KDM4E (0.31) | ALDH1A1GAAKDM4EHPGDCASP1 | |
| SCHEMBL9845166 | 0.78 | ALDH1A1 (0.32) | ALDH1A1GAACYP4F2CYP4A11PTPN1 | |
| SCHEMBL9845179 | 0.77 | CYP4F2 (0.36) | CYP4F2CYP4A11 | |
| SCHEMBL9845177 | 0.76 | CYP4F2 (0.31) | ALDH1A1GAACYP4F2CYP4A11 | |
| SCHEMBL9006978 | 0.72 | NPC1 (0.34) | ALDH1A1GAAKDM4EHPGDCASP1 | |
| SCHEMBL9845203 | 0.72 | CYP4F2 (0.35) | CYP4F2CYP4A11 | |
| SCHEMBL8865217 | 0.71 | CYP3A4 (0.37) | ALDH1A1GAAKDM4EHPGDCASP1 | |
| SCHEMBL9176702 | 0.71 | CYP4Z1 (0.37) | ALDH1A1GAAKDM4EHPGDCASP1 | |
| SCHEMBL9178153 | 0.70 | FFAR1 (0.42) | CYP4F2CYP4A11 | |
| SCHEMBL8865396 | 0.70 | CYP4F2 (0.34) | ALDH1A1GAAKDM4EHPGDCASP1 |
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 |