Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | CDC42 | P60953 | 1/20 | 0.38 |
| ▸ | RAC1 | P63000 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10349478 | 0.88 | ALDH1A1 (0.39) | CYP17A1ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7045165 | 0.85 | CYP2D6 (0.48) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP3A4 | |
| SCHEMBL10349820 | 0.85 | HIF1A (0.38) | CYP17A1ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| Hydrochloric Acid SCHEMBL8687121 | 0.84 | CYP2D6 (0.47) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP3A4 | |
| SCHEMBL10868854 | 0.81 | ALDH1A1 (0.47) | CYP17A1ABCB11ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL10349821 | 0.79 | CYP17A1 (0.44) | CYP17A1ABCB11ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL17775051 | 0.73 | CYP17A1 (0.55) | CYP17A1ABCB11CYP3A4PTGS2PTGS1 | |
| SCHEMBL10869652 | 0.73 | ALDH1A1 (0.40) | CYP17A1ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL11874066 | 0.73 | CYP17A1 (0.44) | CYP17A1ABCB11ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL7043342 | 0.71 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CYP2C19HSD17B10GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0176049-B1 | AMINOALKYLNAPHTALENE DERIVATIVES HAVING PHARMACOLOGICAL ACTIVITIES | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1990-06-13 | — | — | EP | disclosed |
| EP-0176049-A2 | Aminoalkylnaphtalene derivatives having pharmacological activities | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1986-04-02 | — | — | EP | disclosed |