Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 3/20 | 0.31 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22474523 | 0.85 | DRD2 (0.40) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL22474530 | 0.82 | DRD2 (0.38) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL22474477 | 0.82 | DRD2 (0.38) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL22474545 | 0.81 | PRKAB2 (0.35) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL22474552 | 0.78 | PRKAB2 (0.34) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL18474153 | 0.74 | PARP1 (0.54) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL15758912 | 0.71 | PRKAB2 (0.48) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL17974425 | 0.71 | PRKAB2 (0.45) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL15758438 | 0.71 | PRKAB2 (0.62) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL22474460 | 0.71 | DRD1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2876108-B1 | COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF | SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) | 2020-09-30 | — | — | EP | disclosed |