Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.94 |
| ▸ | CACNA1H | O95180 | 12/20 | 0.70 |
| ▸ | CACNA1C | Q13936 | 10/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.70 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.67 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL7266333 | 1.00 | CYP3A4 (0.94) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| SCHEMBL7267079 | 1.00 | CYP3A4 (0.94) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| Hydrochloric Acid SCHEMBL10539326 | 0.99 | CYP3A4 (0.92) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| Hydrochloric Acid SCHEMBL7266400 | 0.99 | CYP3A4 (0.92) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| SCHEMBL7273270 | 0.99 | CYP3A4 (0.95) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| SCHEMBL22761579 | 0.97 | CYP3A4 (1.00) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| SCHEMBL7449450 | 0.97 | CYP3A4 (1.00) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| SCHEMBL7267019 | 0.97 | CYP3A4 (1.00) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| Oxalic Acid SCHEMBL8353249 | 0.92 | CYP3A4 (0.90) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT | |
| SCHEMBL7265121 | 0.91 | CYP3A4 (0.78) | CYP3A4CACNA1HCACNA1CCYP2D6MAPT |
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-0268148-B1 | TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | disclosed |