Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 16/20 | 0.76 |
| ▸ | CACNA1C | Q13936 | 13/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2548054 | 1.00 | CACNA1H (0.76) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13815496 | 1.00 | CACNA1H (0.76) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2550924 | 1.00 | CACNA1H (0.76) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14775840 | 1.00 | CACNA1H (0.76) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13815485 | 1.00 | CACNA1H (0.76) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2546650 | 0.95 | CACNA1H (0.69) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2546929 | 0.95 | CACNA1H (0.69) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13815514 | 0.95 | CACNA1H (0.69) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13815531 | 0.90 | CACNA1H (0.63) | CACNA1HCACNA1CCYP3A4CYP2D6MEN1 | |
| SCHEMBL13815530 | 0.90 | CACNA1H (0.63) | CACNA1HCACNA1CCYP3A4CYP2D6MEN1 |
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-2350021-B1 | BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-03-20 | — | — | EP | claimed |