Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9121840 | 1.00 | TAAR1 (0.44) | TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL1562979 | 1.00 | TAAR1 (0.44) | TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL9121020 | 0.80 | CYP2D6 (0.42) | TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL29457704 | 0.76 | CYP2D6 (0.63) | TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL10346211 | 0.73 | TAAR1 (0.47) | TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL3640366 | 0.72 | TAAR1 (0.50) | TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL29038820 | 0.72 | CYP2C19 (0.49) | TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL41959 | 0.70 | ALDH1A1 (0.50) | TAAR1CYP2C19ALDH1A1LMNACYP1A2 | |
| Hydrogen Peroxide SCHEMBL27577220 | 0.70 | ALDH1A1 (0.55) | TAAR1CYP2C19ALDH1A1LMNACYP1A2 | |
| SCHEMBL10514033 | 0.69 | SMN1; SMN2 (0.43) | TAAR1CYP2D6CYP2C19ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0457559-A2 | Chiral synthesis of 1-aryl-3-aminopropan-1-ols | ELI LILLY AND COMPANY (US) | 1991-11-21 | — | — | EP | disclosed |