Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29608887 | 0.80 | CYP2D6 (0.48) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL7196262 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL28399442 | 0.80 | TSHR (0.43) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL6809938 | 0.77 | CYP2D6 (0.47) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL30991531 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL28032841 | 0.76 | CYP2D6 (0.42) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL27279067 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL27850012 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL27932553 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL27261081 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004046080-A1 | METHOD OF PREPARATION OF DERIVATIVES OF SUBSTITUTED 2-ARYL AIKANOIC ACIDS | ZENTIVA, A.S. (SK) | 2004-06-03 | — | — | WO | disclosed |