Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G | O43497 | 2/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13985802 | 0.85 | OPRL1 (0.48) | CACNA1GCACNA1HCYP3A4CYP2D6C5AR1 | |
| SCHEMBL13985723 | 0.81 | CYP3A4 (0.48) | CACNA1GCACNA1HCYP3A4CYP2D6C5AR1 | |
| SCHEMBL13985781 | 0.80 | DRD2 (0.42) | CACNA1GCACNA1HCYP3A4CYP2D6C5AR1 | |
| SCHEMBL13985629 | 0.79 | ALDH1A1 (0.43) | CACNA1GCACNA1HCYP3A4CYP2D6C5AR1 | |
| SCHEMBL13980436 | 0.78 | CACNA1G (0.40) | CACNA1GCACNA1HCYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL13980457 | 0.78 | JAK2 (0.44) | CACNA1GCACNA1HALDH1A1OPRM1CHRM2 | |
| SCHEMBL13980393 | 0.78 | CACNA1G (0.44) | CACNA1GCACNA1HCYP3A4CYP2D6C5AR1 | |
| SCHEMBL13985721 | 0.77 | ALDH1A1 (0.40) | CACNA1GCACNA1HCYP3A4CYP2D6C5AR1 | |
| SCHEMBL13985630 | 0.77 | ALDH1A1 (0.40) | CACNA1GCACNA1HCYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL13980481 | 0.75 | CHRM1 (0.63) | CYP3A4ALDH1A1OPRM1CHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008146172-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-12-04 | — | — | WO | disclosed |