Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 16/20 | 0.73 |
| ▸ | CACNA1C | Q13936 | 13/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL14775891 | 1.00 | CACNA1H (0.73) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2543631 | 1.00 | CACNA1H (0.73) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2546599 | 1.00 | CACNA1H (0.73) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2548530 | 0.90 | CACNA1H (0.60) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13815513 | 0.90 | CACNA1H (0.60) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2549624 | 0.90 | CACNA1H (0.60) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14775966 | 0.88 | CACNA1H (0.58) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14775808 | 0.88 | CACNA1H (0.58) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2546919 | 0.88 | CACNA1H (0.58) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2548169 | 0.88 | CACNA1H (0.58) | CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9 |
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 | disclosed |