Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6364660 | 0.84 | CYP3A4 (0.39) | CYP3A4PGRARGABRA1MAOA | |
| SCHEMBL18308983 | 0.77 | ALOX5 (0.38) | CYP3A4PGRARGABRA1MAOA | |
| SCHEMBL8248216 | 0.75 | ALDH1A1 (0.40) | CYP3A4PGRARGABRA1MAOA | |
| SCHEMBL21363801 | 0.75 | ALOX15 (0.56) | CYP3A4PGRARGABRA1MAOA | |
| SCHEMBL4135020 | 0.75 | CYP3A4 (0.33) | CYP3A4PGRARGABRA1MAOA | |
| SCHEMBL4995839 | 0.75 | MAPT (0.43) | CYP3A4PGRARGABRA1MAOA | |
| SCHEMBL12203329 | 0.75 | PTGS2 (0.37) | CYP3A4PGRARGABRA1MAOA | |
| SCHEMBL24008355 | 0.73 | ALDH1A1 (0.40) | CYP3A4LMNAHPGDALDH1A1ALOX5 | |
| SCHEMBL23480218 | 0.72 | CYP3A4 (0.36) | CYP3A4PGRARGABRA1MAOA | |
| SCHEMBL18103322 | 0.71 | CYP3A4 (0.37) | CYP3A4ATMABCG2MAPK9LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5936128-A | BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV | WARNER-LAMBERT COMPANY (US) | 1999-08-10 | — | — | US | claimed |
| US-5808062-A | AIDS THERAPY | WARNER-LAMBERT COMPANY (US) | 1998-09-15 | — | — | US | claimed |
| EP-0729463-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |
| EP-0729466-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |
| WO-1995014011-A2 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | claimed |
| WO-1995014014-A2 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | claimed |