Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL12584816 | 0.84 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL13792022 | 0.84 | ALDH1A1 (0.45) | CHRNB2CHRNA4APEX1SMN1; SMN2EPHX1 | |
| SCHEMBL13792021 | 0.79 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL13804483 | 0.70 | ALDH1A1 (0.47) | CHRNB2CHRNA4LMNASMN1; SMN2EPHX1 | |
| SCHEMBL23086622 | 0.69 | CHRNB2 (0.35) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL28632681 | 0.69 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL24004507 | 0.68 | MME (0.35) | DPP4 | |
| SCHEMBL17035460 | 0.67 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL24991672 | 0.67 | CYP1A2 (0.34) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL23086905 | 0.67 | EPHX1 (0.36) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7550559-B2 | Acylsulfonamide compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2009-06-23 | — | — | US | disclosed |
| US-7399749-B2 | Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-07-15 | — | — | US | disclosed |
| US-7342041-B2 | 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-03-11 | — | — | US | disclosed |