Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 5/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 5/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 5/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7370563 | 0.83 | SRD5A2 (0.49) | PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1 | |
| SCHEMBL7371062 | 0.81 | BACE1 (0.52) | CYP2A6ESR2KDM4EHPGDGALR3 | |
| SCHEMBL7374419 | 0.79 | LMNA (0.40) | NPSR1CYP1A2CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL27142057 | 0.79 | CYP2A6 (0.50) | NPSR1CYP1A2CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL7375894 | 0.77 | PGR (0.46) | CYP1A2CYP2C9CYP2C19CYP2A6KDM4E | |
| SCHEMBL7368661 | 0.76 | AR (0.41) | ESR2KDM4EHPGDGALR3ALDH1A1 | |
| SCHEMBL7368488 | 0.73 | ALDH1A1 (0.35) | NPSR1CYP1A2CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL26606940 | 0.73 | BACE1 (0.50) | NPSR1CYP1A2CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL27517035 | 0.72 | GABRA1 (0.46) | CYP1A2CYP2C9CYP2C19KDM4EHPGD | |
| SCHEMBL5885406 | 0.71 | CYP2A6 (0.50) | CYP2A6PRKAG1PRKAA2PRKAB1PRKAB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994021650-A1 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-29 | — | — | WO | disclosed |