Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL2171946 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2170844 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2170717 | 0.87 | KIF11 (0.60) | ALDH1A1HPGDKIF11SMN1; SMN2KMT2A | |
| SCHEMBL2172524 | 0.87 | KIF11 (0.60) | ALDH1A1HPGDKIF11SMN1; SMN2KMT2A | |
| SCHEMBL261230 | 0.87 | KIF11 (0.60) | ALDH1A1HPGDKIF11SMN1; SMN2KMT2A | |
| SCHEMBL2170471 | 0.83 | NR1H4 (0.54) | ALDH1A1HPGDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2815572 | 0.83 | NR1H4 (0.54) | ALDH1A1HPGDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1447652 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1HPGDCYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL11272564 | 0.78 | HPGD (0.49) | ALDH1A1HPGDCYP3A4SMN1; SMN2KMT2A | |
| SCHEMBL5523228 | 0.77 | KIF11 (0.59) | ALDH1A1HPGDCYP3A4CYP2D6CYP2C9 |
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-8133911-B2 | (R)-4-(heteroaryl) phenylethyl derivatives and pharmaceutical compositions containing them | DOMPE S.P.A (IT) | 2012-03-13 | — | — | US | disclosed |
| EP-2201006-B1 | (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE SPA (IT) | 2011-03-09 | — | — | EP | disclosed |