Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SCN1A | P35498 | 2/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.38 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9827613 | 0.97 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| SCHEMBL9832217 | 0.91 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| SCHEMBL9827555 | 0.87 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| SCHEMBL9829663 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| Hydrochloric Acid SCHEMBL9827829 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| SCHEMBL9829660 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| Hydrochloric Acid SCHEMBL10794825 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| Hydrochloric Acid SCHEMBL10792651 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| Hydrochloric Acid SCHEMBL9827448 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2BLMPMP22 | |
| SCHEMBL9828679 | 0.85 | ADRB2 (0.40) | SMPD1KDM4EMEN1DRD2DRD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0177960-B1 | DERIVATIVES OF TETRAHYDRONAPHTHALENE, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | HOFFMANN LA ROCHE (CH) | 1991-03-20 | — | — | EP | disclosed |
| US-4680310-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-07-14 | — | — | US | disclosed |
| EP-0177960-A2 | Derivatives of tetrahydronaphthalene, process and intermediates for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1986-04-16 | — | — | EP | disclosed |