Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602934 | 0.84 | CYP2C19 (0.45) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6604221 | 0.82 | PTGS2 (0.44) | ALDH1A1 | |
| SCHEMBL6605223 | 0.79 | TAS2R14 (0.41) | CYP3A4CYP2C19CYP2D6ALDH1A1CA2 | |
| SCHEMBL6604584 | 0.79 | TAAR1 (0.40) | ALDH1A1NR3C1NR3C2TDP1 | |
| SCHEMBL1581433 | 0.78 | NQO2 (0.47) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6602936 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| Sulfuric Acid SCHEMBL6655702 | 0.76 | TDP1 (0.55) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| Sulfuric Acid SCHEMBL7622004 | 0.76 | TDP1 (0.55) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13718279 | 0.76 | CYP2C19 (0.47) | CYP3A4CYP2C19CYP1A2CYP2C9IDH1 | |
| SCHEMBL6962964 | 0.73 | PTGS2 (0.43) | ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1142887-B1 | 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents | PARKE DAVIS & CO (US) | 2004-04-07 | — | — | EP | disclosed |
| EP-0729463-B1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & CO (US) | 2002-05-22 | — | — | EP | disclosed |
| EP-1142887-A1 | 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents | PARKE, DAVIS & COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| US-5936128-A | BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV | WARNER-LAMBERT COMPANY (US) | 1999-08-10 | — | — | US | disclosed |
| US-5840751-A | ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS | WARNER-LAMBERT COMPANY (US) | 1998-11-24 | — | — | US | disclosed |
| US-5789440-A | 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents | WARNER-LAMBERT COMPANY (US) | 1998-08-04 | — | — | US | disclosed |
| EP-0729464-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| EP-0729463-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014012-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | disclosed |
| WO-1995014011-A2 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | disclosed |