Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G | O43497 | 1/20 | 0.51 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.43 |
| ▸ | PRKACA | P17612 | 3/20 | 0.43 |
| ▸ | GSK3A | P49840 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 3/20 | 0.43 |
| ▸ | PRKX | P51817 | 3/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.43 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | AKT2 | P31751 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18311366 | 1.00 | CACNA1G (0.51) | CACNA1GCACNA1HCNR2KCNH2CACNA1I | |
| SCHEMBL17240479 | 0.90 | ROCK2 (0.45) | CACNA1GCACNA1HCNR2KCNH2CACNA1I | |
| SCHEMBL2137322 | 0.81 | CACNA1I (0.75) | CACNA1GCACNA1HCNR2KCNH2CACNA1I | |
| SCHEMBL2136279 | 0.81 | CACNA1I (0.75) | CACNA1GCACNA1HCNR2KCNH2CACNA1I | |
| SCHEMBL2136274 | 0.81 | CACNA1I (0.75) | CACNA1GCACNA1HCNR2KCNH2CACNA1I | |
| SCHEMBL27931750 | 0.78 | SMN1; SMN2 (0.53) | CACNA1GCACNA1HCNR2KCNH2CACNA1I | |
| SCHEMBL10174185 | 0.78 | CYP17A1 (0.43) | CACNA1GCACNA1HCNR2KCNH2CACNA1I | |
| SCHEMBL27931767 | 0.77 | ROCK1 (0.64) | ROCK1ROCK2PRKACAGSK3AGSK3B | |
| SCHEMBL17240495 | 0.76 | PHGDH (0.55) | — | |
| SCHEMBL17240494 | 0.76 | PHGDH (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9522140-B2 | Aryl substituted carboxamide derivatives as calcium or sodium channel blockers | RAQUALIA PHARMA INC. (JP) | 2016-12-20 | — | — | US | disclosed |