Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 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 SCHEMBL10793227 | 0.99 | CYP3A4 (0.45) | CYP3A4CYP2D6ALDH1A1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL10798620 | 0.92 | CYP3A4 (0.49) | CYP3A4CYP2D6ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9827453 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2D6ALDH1A1SMPD1 | |
| SCHEMBL9736711 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2D6ALDH1A1SMPD1 | |
| Hydrochloric Acid SCHEMBL10798394 | 0.90 | CYP3A4 (0.43) | CYP3A4CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9829237 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1 | |
| Hydrochloric Acid SCHEMBL9736378 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1 | |
| Hydrochloric Acid SCHEMBL10792003 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1 | |
| SCHEMBL9737632 | 0.89 | CYP3A4 (0.52) | CYP3A4CYP2D6ALDH1A1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL10797045 | 0.88 | CYP3A4 (0.51) | CYP3A4CYP2D6ALDH1A1CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120759-A | TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY | HOFFMANN-LA ROCHE INC. (US) | 1992-06-09 | — | — | US | disclosed |