Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10797045 | 0.99 | CYP3A4 (0.51) | CYP3A4CYP2D6DRD3SLC6A3DRD2 | |
| Hydrochloric Acid SCHEMBL10798620 | 0.93 | CYP3A4 (0.49) | CYP3A4CYP2D6DRD3SLC6A3CACNA1H | |
| SCHEMBL9737984 | 0.89 | CYP3A4 (0.46) | CYP3A4CYP2D6ALDH1A1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL10793227 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2D6MAPTMEN1KMT2A | |
| SCHEMBL9827453 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6MEN1KMT2AALDH1A1 | |
| SCHEMBL9736711 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL10798394 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| Hydrochloric Acid SCHEMBL10791965 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6DRD3SLC6A3CACNA1H | |
| Hydrochloric Acid SCHEMBL9736378 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9829237 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6MAPTMEN1KMT2A |
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-5120759-A | TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY | HOFFMANN-LA ROCHE INC. (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0388739-A1 | Tetrahydronaphthalene derivates | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1990-09-26 | — | — | EP | disclosed |