Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL2259508 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| SCHEMBL9737738 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| SCHEMBL22761498 | 0.86 | CYP3A4 (0.51) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| SCHEMBL2259283 | 0.86 | CYP3A4 (0.51) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| SCHEMBL22761556 | 0.86 | CYP3A4 (0.51) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| SCHEMBL14428889 | 0.86 | CYP3A4 (0.51) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| SCHEMBL22734745 | 0.86 | CYP3A4 (0.51) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| SCHEMBL10792147 | 0.85 | CYP3A4 (0.40) | CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22761552 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT | |
| SCHEMBL22734707 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2D6CACNA1HCACNA1CMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998049148-A1 | PREPARATION OF MIBEFRADIL II | F. HOFFMANN-LA ROCHE AG (CH) | 1998-11-05 | — | — | WO | disclosed |
| 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 |