Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5170896 | 1.00 | TAAR1 (0.48) | TAAR1SLC6A2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL9121015 | 0.81 | CYP2C19 (0.52) | TAAR1SLC6A2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL9577914 | 0.80 | CYP1A2 (0.55) | TAAR1SLC6A2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL16500483 | 0.75 | CYP2C19 (0.48) | TAAR1SLC6A2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL9360615 | 0.75 | CYP2C19 (0.48) | CYP1A2CYP2C19CYP2C9TRPA1SMN1; SMN2 | |
| SCHEMBL9764283 | 0.75 | CYP2C19 (0.48) | TAAR1SLC6A2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11687732 | 0.74 | CYP2C19 (0.44) | SLC6A2CYP1A2CYP2C19CYP2C9TRPA1 | |
| SCHEMBL26910113 | 0.74 | CYP1A2 (0.43) | TAAR1SLC6A2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL28963920 | 0.73 | SLC6A2 (0.52) | TAAR1SLC6A2CYP1A2CYP2C19CYP2C9 | |
| Isopropyl Alcohol SCHEMBL9580322 | 0.73 | SLC6A2 (0.57) | TAAR1SLC6A2CYP1A2CYP2C19CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5266723-A | Process for the preparation of optically active 2-aryl-alkanoic acids, especially 2-aryl-propionic acids | MEDICE, LTD., CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) | 1993-11-30 | — | — | US | claimed |
| EP-0427168-A1 | Optical isomer of triazolylpentenols, and their production and use as fungicide, herbicide and/or plant growth regulant | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-05-15 | — | — | EP | disclosed |