Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
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 | 0.85 | ALDH1A1 (0.39) | ALDH1A1CYP2D6HSD17B10CYP2C19HTT | |
| SCHEMBL10349819 | 0.85 | ALDH1A1 (0.38) | ALDH1A1CYP2D6HSD17B10CYP2C19HTT | |
| SCHEMBL10349473 | 0.84 | CYP2D6 (0.38) | ALDH1A1CYP2D6HSD17B10CYP2C19HTT | |
| SCHEMBL10867775 | 0.83 | HTT (0.41) | ALDH1A1CYP2D6HSD17B10CYP2C19HTT | |
| SCHEMBL10869960 | 0.80 | NR1H4 (0.39) | ALDH1A1HTTNR1H4LMNACYP3A4 | |
| SCHEMBL10350134 | 0.73 | CYP17A1 (0.46) | ALDH1A1CYP2D6HSD17B10CYP2C19CYP3A4 | |
| SCHEMBL10868854 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP2D6HSD17B10CYP2C19CYP17A1 | |
| SCHEMBL8529142 | 0.72 | CYP2D6 (0.49) | ALDH1A1CYP2D6HSD17B10CYP2C19HIF1A | |
| SCHEMBL169116 | 0.72 | CYP2D6 (0.49) | ALDH1A1CYP2D6HSD17B10CYP2C19HIF1A | |
| SCHEMBL355959 | 0.72 | CYP2D6 (0.49) | ALDH1A1CYP2D6HSD17B10CYP2C19HIF1A |
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-0176049-A2 | Aminoalkylnaphtalene derivatives having pharmacological activities | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1986-04-02 | — | — | EP | disclosed |