Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9121015 | 0.85 | CYP2C19 (0.52) | CYP1A2CYP2C19CYP2C9TRPA1KCNA5 | |
| SCHEMBL9360615 | 0.82 | CYP2C19 (0.48) | CYP1A2CYP2C19CYP2C9TRPA1KCNA5 | |
| SCHEMBL16500483 | 0.82 | CYP2C19 (0.48) | CYP1A2CYP2C19CYP2C9TRPA1KCNA5 | |
| SCHEMBL9764283 | 0.82 | CYP2C19 (0.48) | CYP1A2CYP2C19CYP2C9TRPA1KCNA5 | |
| SCHEMBL5170896 | 0.80 | TAAR1 (0.48) | CYP1A2CYP2C19CYP2C9TRPA1KCNA5 | |
| SCHEMBL9577892 | 0.80 | TAAR1 (0.48) | CYP1A2CYP2C19CYP2C9TRPA1KCNA5 | |
| SCHEMBL12238644 | 0.79 | CYP2C19 (0.44) | CYP1A2CYP2C19CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL6492778 | 0.79 | CYP2C19 (0.44) | CYP1A2CYP2C19CYP2C9TRPA1CYP2D6 | |
| SCHEMBL6492775 | 0.79 | CYP2C19 (0.44) | CYP1A2CYP2C19CYP2C9TRPA1CYP2D6 | |
| SCHEMBL924297 | 0.79 | CYP2D6 (0.63) | CYP1A2CYP2C19CYP2C9TRPA1KCNA5 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |