Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.36 |
| ▸ | ASAH1 | Q13510 | 5/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6604162 | 1.00 | ALDH1A1 (0.38) | ALDH1A1EGFRGAAL3MBTL1OPRM1 | |
| SCHEMBL8008694 | 0.93 | EGFR (0.35) | ALDH1A1EGFRGAAL3MBTL1LDHA | |
| SCHEMBL8346206 | 0.93 | EGFR (0.35) | ALDH1A1EGFRGAAL3MBTL1LDHA | |
| SCHEMBL6606008 | 0.91 | ASAH1 (0.37) | ALDH1A1EGFRASAH1CYP3A4CYP2C19 | |
| SCHEMBL8341314 | 0.90 | OPRK1 (0.39) | OPRM1HCAR3HCAR2DRD2 | |
| SCHEMBL8008514 | 0.90 | OPRK1 (0.39) | OPRM1HCAR3HCAR2DRD2 | |
| SCHEMBL6175283 | 0.86 | EGFR (0.39) | ALDH1A1EGFRL3MBTL1OPRL1HCAR3 | |
| SCHEMBL6605870 | 0.85 | ALDH1A1 (0.38) | ALDH1A1OPRL1LDHAMEN1KMT2A | |
| SCHEMBL8341022 | 0.85 | PTPN1 (0.45) | ALDH1A1GAAL3MBTL1OPRM1MEN1 | |
| SCHEMBL7999003 | 0.85 | PTPN1 (0.45) | ALDH1A1GAAL3MBTL1OPRM1MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0935597-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1999-08-18 | — | — | EP | claimed |
| WO-1999014210-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES | WARNER-LAMBERT COMPANY (US) | 1999-03-25 | — | — | WO | claimed |
| US-5834506-A | TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS | WARNER-LAMBERT COMPANY (US) | 1998-11-10 | — | — | US | claimed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | claimed |
| US-6046355-A | TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS | WARNER-LAMBERT COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0935597-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1999-08-18 | — | — | EP | disclosed |
| WO-1999014210-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES | WARNER-LAMBERT COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |
| US-5834506-A | TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS | WARNER-LAMBERT COMPANY (US) | 1998-11-10 | — | — | US | disclosed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |