Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18612996 | 0.84 | PLAU (0.42) | CTRB1GAAMAPTCYP2C9CYP2C19 | |
| SCHEMBL18612997 | 0.80 | PLAU (0.40) | CTRB1PRKACAAKT1BRD4ALDH1A1 | |
| SCHEMBL19222972 | 0.78 | PLAU (0.35) | CTRB1GAAMAPTALDH1A1HSD17B10 | |
| SCHEMBL657291 | 0.72 | CTRB1 (0.68) | CTRB1GAAMAPTBRD4ALDH1A1 | |
| SCHEMBL9541619 | 0.72 | CTRB1 (0.68) | CTRB1GAAMAPTBRD4ALDH1A1 | |
| SCHEMBL11060773 | 0.71 | CYP19A1 (0.45) | MAPTCYP2C9CYP2C19KDM4EADORA3 | |
| SCHEMBL11060770 | 0.71 | CYP19A1 (0.45) | MAPTCYP2C9CYP2C19KDM4EADORA3 | |
| SCHEMBL16581527 | 0.70 | MAPT (0.57) | GAAMAPTCYP2C9CYP2C19AKR1C3 | |
| SCHEMBL4260040 | 0.70 | MAOB (0.60) | MAPTCYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL20197630 | 0.70 | GAA (0.68) | GAAMAPTCYP2C9CYP2C19AKR1C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729464-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 |