Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | PPM1D | O15297 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 2/20 | 0.34 |
| ▸ | MDM4 | O15151 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 2/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8538646 | 0.78 | ACHE (0.50) | KMT2ATP53RAB9ACETPMDM4 | |
| SCHEMBL6958667 | 0.76 | GRIK1 (0.37) | KMT2AMEN1PPM1DCCR3GRIK1 | |
| SCHEMBL8538793 | 0.74 | CETP (0.41) | KMT2ARAB9ACETPALDH1A1 | |
| SCHEMBL6954168 | 0.72 | GABRA1 (0.44) | KMT2ATP53CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8539960 | 0.69 | HDAC8 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL547637 | 0.69 | GRIK1 (0.58) | TP53CYP2C9CYP2C19PPM1DGRIK1 | |
| SCHEMBL11879801 | 0.69 | AKR1B1 (0.53) | — | |
| SCHEMBL3647579 | 0.69 | GRIK1 (0.58) | TP53CYP2C9CYP2C19PPM1DGRIK1 | |
| SCHEMBL8536411 | 0.68 | IDO1 (0.54) | KMT2AMEN1RAB9AALDH1A1 | |
| SCHEMBL8536457 | 0.68 | MAPT (0.42) | RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0729465-B1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & CO (US) | 2003-01-22 | — | — | EP | disclosed |
| US-6005103-A | TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS | WARNER-LAMBERT COMPANY (US) | 1999-12-21 | — | — | US | disclosed |
| EP-0729465-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| EP-0729466-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014013-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | disclosed |
| WO-1995014014-A2 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | disclosed |