Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 5/20 | 0.43 |
| ▸ | GABRD | O14764 | 5/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.43 |
| ▸ | GABRE | P78334 | 5/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 5/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 5/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 5/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6955040 | 0.91 | CNR1 (0.36) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6954281 | 0.89 | ALDH1A1 (0.42) | CA12CA9CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL6964481 | 0.89 | TNKS (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6961039 | 0.88 | SMN1; SMN2 (0.46) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6961237 | 0.88 | QPCT (0.42) | CA12CA9POLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL6965601 | 0.87 | NPSR1 (0.42) | CYP1A2POLBSMN1; SMN2L3MBTL1NPSR1 | |
| SCHEMBL6958988 | 0.85 | SMN1; SMN2 (0.41) | CYP1A1CYP1A2CYP1B1POLBSMN1; SMN2 | |
| SCHEMBL6958727 | 0.84 | CYP1A2 (0.42) | CYP1A1CYP1A2CYP1B1SLC9A1KDM4E | |
| SCHEMBL6963494 | 0.84 | PTGES (0.43) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6964073 | 0.83 | AR (0.41) | POLBSMN1; SMN2L3MBTL1KDM4EMAPT |
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-0729466-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014014-A2 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | disclosed |