Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Diethylaminoethanol SCHEMBL18769935 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL28133290 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| SCHEMBL22484388 | 0.80 | KDM5A (0.36) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| SCHEMBL2122121 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| SCHEMBL17022731 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| SCHEMBL2019100 | 0.79 | — | — | |
| SCHEMBL24277059 | 0.78 | — | — | |
| Trolamine SCHEMBL7164346 | 0.77 | TP53 (0.44) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| SCHEMBL23206497 | 0.76 | TP53 (0.32) | TP53 | |
| Diethylaminoethanol SCHEMBL10699915 | 0.76 | — | — |
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-2196458-A1 | Process for obtaining enantiomerically enriched pyrazole derivatives | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2010-06-16 | — | — | EP | disclosed |