Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | BMP1 | P13497 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6603748 | 0.89 | IDH1 (0.44) | CHRM2CHRM1CHRM3CA1CA2 | |
| SCHEMBL6967077 | 0.86 | ALDH1A1 (0.46) | CA1CA2CA9 | |
| SCHEMBL6963718 | 0.85 | CHRM2 (0.47) | CHRM2CHRM1CHRM3CA1CA2 | |
| SCHEMBL6604230 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL6963723 | 0.78 | CHRM2 (0.45) | CHRM2CHRM1CHRM3ABCB1HTR1A | |
| SCHEMBL6605344 | 0.76 | TDP1 (0.42) | CA1CA2CA7CA9DRD2 | |
| SCHEMBL6603886 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL10372349 | 0.76 | ALDH1A1 (0.47) | CA1CA2CA9 | |
| SCHEMBL6959651 | 0.76 | KMT2A (0.42) | — | |
| SCHEMBL10886550 | 0.74 | FFAR4 (0.38) | CA2TAAR1 |
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 5 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 |
| US-5808062-A | AIDS THERAPY | WARNER-LAMBERT COMPANY (US) | 1998-09-15 | — | — | US | disclosed |
| EP-0729465-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 |