Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13622658 | 1.00 | NPSR1 (0.44) | NPSR1KDM4EMAPTHSD17B10CYP3A4 | |
| SCHEMBL8178666 | 0.86 | ALDH1A1 (0.43) | MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8282957 | 0.86 | ALDH1A1 (0.43) | MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL13622642 | 0.86 | ALDH1A1 (0.43) | MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL12600996 | 0.80 | KDM4E (0.47) | NPSR1KDM4EMAPTHSD17B10CYP3A4 | |
| SCHEMBL21389102 | 0.78 | NPSR1 (0.53) | NPSR1KDM4EMAPTHSD17B10CYP3A4 | |
| SCHEMBL8282942 | 0.77 | KDM4E (0.33) | KDM4EMAPTHSD17B10TSHRKMT2A | |
| SCHEMBL12601402 | 0.76 | NPSR1 (0.43) | NPSR1KDM4EMAPTHSD17B10CYP3A4 | |
| SCHEMBL27910719 | 0.75 | SCN9A (0.42) | CYP3A4KMT2AGAAALDH1A1TP53 | |
| SCHEMBL12679223 | 0.74 | CTSS (0.43) | KMT2AALDH1A1MAPK1 |
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-7619094-B2 | Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus | SCHERING CORPORATION (US) | 2009-11-17 | — | — | US | 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 |