Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13804483 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL13791853 | 0.84 | CHRNB2 (0.37) | CHRNB2CHRNA4EPHX1SMN1; SMN2CYP2C9 | |
| SCHEMBL13792021 | 0.76 | CHRNB2 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4MEN1 | |
| SCHEMBL8374989 | 0.71 | ALDH1A1 (0.54) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL12584816 | 0.68 | CHRNB2 (0.36) | ALDH1A1CHRNB2CHRNA4EPHX1SMN1; SMN2 | |
| SCHEMBL26670733 | 0.66 | CYP2C19 (0.37) | ALDH1A1KMT2ACYP2C9L3MBTL1CTSK | |
| SCHEMBL15461455 | 0.66 | GAA (0.42) | ALDH1A1MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL24004507 | 0.66 | MME (0.35) | — | |
| SCHEMBL12787697 | 0.65 | SMN1; SMN2 (0.54) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL13070545 | 0.65 | — | — |
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 |