Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15959071 | 0.88 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL4160841 | 0.88 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL18380911 | 0.87 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL12525234 | 0.87 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL121234 | 0.87 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL12487912 | 0.87 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL11922655 | 0.84 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL11922654 | 0.84 | SMN1; SMN2 (0.57) | CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL3217031 | 0.84 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL28864314 | 0.78 | TAAR1 (0.50) | CYP2C19CYP1A2CYP2C9HIF1AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0073301-B1 | PROCESS FOR THE PREPARATION OF ALPHA, BETA AND BETA, GAMMA UNSATURATED KETONES | FIRMENICH SA (CH) | 1984-11-21 | — | — | EP | disclosed |
| US-4453011-A | BASIFICATION OF A DIALLYL CARBINOL | FIRMENICH SA (CH) | 1984-06-05 | — | — | US | disclosed |
| EP-0073301-A1 | Process for the preparation of alpha, beta and beta, gamma unsaturated ketones | FIRMENICH SA (CH) | 1983-03-09 | — | — | EP | disclosed |