Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 3/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.44 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.44 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.44 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 11/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21621293 | 1.00 | PRKAB2 (0.44) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL29947118 | 0.90 | ADORA2B (0.46) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL21621278 | 0.90 | ADORA2B (0.46) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL21621271 | 0.85 | PRKAB2 (0.62) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL29947031 | 0.85 | PRKAB2 (0.62) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL21621295 | 0.79 | CLK4 (0.41) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL29947036 | 0.79 | CLK4 (0.41) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL21621289 | 0.79 | ADORA2A (0.53) | ADORA2BADORA2AADORA1CYP1A2CYP3A4 | |
| SCHEMBL29947063 | 0.79 | ADORA2A (0.53) | ADORA2BADORA2AADORA1CYP1A2CYP3A4 | |
| SCHEMBL21621168 | 0.79 | PRKAB2 (0.39) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111094254-B | Heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-26 | — | — | CN | disclosed |