Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 2/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.39 |
| ▸ | CD38 | P28907 | 1/20 | 0.38 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.38 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28558353 | 0.86 | PRKAB2 (0.44) | NPC1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL22553899 | 0.80 | NUDT1 (0.46) | NPC1PRKAA1CDK8CD38 | |
| SCHEMBL30730791 | 0.79 | ALDH1A1 (0.48) | NPC1ALDH1A1CYP11B2CYP11B1CD38 | |
| SCHEMBL22553727 | 0.79 | ALDH1A1 (0.48) | NPC1ALDH1A1CYP11B2CYP11B1CD38 | |
| SCHEMBL22554045 | 0.79 | ALDH1A1 (0.43) | NPC1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL28559252 | 0.79 | NPC1 (0.45) | NPC1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL22553994 | 0.78 | RPS6KA3 (0.40) | NPC1TNIKPKMALDH1A1CCNC | |
| SCHEMBL22553799 | 0.78 | CD38 (0.42) | NPC1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL22553851 | 0.77 | ROCK2 (0.41) | NPC1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL22553764 | 0.77 | KIT (0.45) | TNIKCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112088157-A | Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors | 拉文纳制药公司 | 2020-12-15 | — | — | CN | claimed |
| CN-112088157-A | Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors | 拉文纳制药公司 | 2020-12-15 | — | — | CN | disclosed |