Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | CTRC | Q99895 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12601433 | 0.91 | CHRM2 (0.46) | CHRM2CHRM3HTR1AADRA1BADRA1A | |
| SCHEMBL8295688 | 0.82 | CHRM2 (0.42) | CHRM2CHRM3ALDH1A1HTR1AADRA1B | |
| SCHEMBL8088243 | 0.78 | CHRM2 (0.46) | CHRM2CHRM3F2ELANECTSG | |
| SCHEMBL12600793 | 0.76 | CHRM2 (0.44) | CHRM2CHRM3F2ELANECTSG | |
| SCHEMBL8282203 | 0.76 | PIK3CD (0.38) | CHRM2CHRM3ALDH1A1HTR1AADRA1B | |
| SCHEMBL23997226 | 0.74 | OPRM1 (0.37) | CHRM2CHRM3SMN1; SMN2 | |
| SCHEMBL14037747 | 0.74 | CHRM2 (0.43) | CHRM2CHRM3F2ELANECTSG | |
| SCHEMBL8349046 | 0.74 | LMNA (0.52) | CHRM2CHRM3F2ELANECTSG | |
| SCHEMBL12600977 | 0.74 | HTR1A (0.48) | ALDH1A1HTR1AADRA1BADRA1A | |
| SCHEMBL16190005 | 0.73 | HTR1A (0.38) | CHRM2CHRM3HTR1AADRA1BADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |
| US-7173057-B2 | Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus | SCHERING CORPORATION (US) | 2007-02-06 | — | — | US | disclosed |