Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 3/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 1/20 | 0.32 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.32 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13632830 | 0.87 | CACNA1H (0.34) | CACNA1HKCNH2NAMPTCYP3A4CYP2E1 | |
| SCHEMBL8283891 | 0.83 | ATM (0.44) | CACNA1HKCNH2NAMPTCYP3A4PER2 | |
| SCHEMBL10278293 | 0.76 | PER2 (0.50) | CACNA1HKCNH2PER2CRY1CRY2 | |
| SCHEMBL9261326 | 0.74 | FFAR4 (0.33) | CACNA1HKCNH2NAMPTCYP3A4CYP2C9 | |
| SCHEMBL17310434 | 0.71 | PER2 (0.32) | CACNA1HKCNH2PER2CRY1CRY2 | |
| SCHEMBL8283895 | 0.71 | ATM (0.44) | CACNA1HKCNH2NAMPTCYP3A4PER2 | |
| SCHEMBL20283054 | 0.70 | KEAP1 (0.44) | KEAP1NFE2L2 | |
| SCHEMBL12600963 | 0.69 | GRIA2 (0.39) | CACNA1HCYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL16098296 | 0.68 | ATM (0.47) | CACNA1HKCNH2PER2CRY1CRY2 | |
| SCHEMBL8199408 | 0.68 | GRIA2 (0.44) | CACNA1HKCNH2CYP3A4CYP2E1CYP2A6 |
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-1730142-B1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2011-06-29 | — | — | EP | disclosed |