Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL10076112 | 0.92 | RPS6KA2 (0.42) | LMNAACHERPS6KA2ALDH1A1CA12 | |
| SCHEMBL13632832 | 0.84 | LMNA (0.48) | LMNAACHEALDH1A1HPGDGAA | |
| SCHEMBL8283792 | 0.76 | P2RX7 (0.42) | LMNAALDH1A1HPGDGAAKMT2A | |
| SCHEMBL8284161 | 0.76 | LMNA (0.51) | LMNAACHEALDH1A1HPGDGAA | |
| SCHEMBL25336731 | 0.73 | LMNA (0.45) | LMNARPS6KA2ALDH1A1HPGDGAA | |
| SCHEMBL30554691 | 0.73 | LMNA (0.45) | LMNARPS6KA2ALDH1A1HPGDGAA | |
| SCHEMBL14928448 | 0.73 | CYP1A2 (0.46) | LMNAACHERPS6KA2ALDH1A1CA12 | |
| SCHEMBL15968001 | 0.72 | CA12 (0.49) | ALDH1A1HPGDGAAKMT2ACA12 | |
| SCHEMBL7847932 | 0.72 | CA12 (0.49) | LMNAACHEALDH1A1HPGDGAA | |
| SCHEMBL7852187 | 0.71 | LMNA (0.47) | LMNAACHEALDH1A1HPGDGAA |
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 2 patents. 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 |
| WO-2005085242-A1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-09-15 | — | — | WO | disclosed |