Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 12/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 3/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.38 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.38 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28597659 | 1.00 | ADORA2A (0.43) | ADORA2AADORA2BADORA1ADORA3NQO2 | |
| SCHEMBL22180269 | 0.76 | CHUK (0.46) | ADORA2AADORA2BADORA1KDM4ECYP1A2 | |
| SCHEMBL30738260 | 0.75 | DHODH (0.43) | ADORA2AKDM4E | |
| SCHEMBL21801542 | 0.75 | ADORA1 (0.50) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL22172339 | 0.72 | ADORA2A (0.41) | ADORA2AADORA2BADORA1DPP4KDM4E | |
| SCHEMBL28450417 | 0.72 | ADORA2A (0.53) | ADORA2AADORA2BADORA1ADORA3DPP4 | |
| SCHEMBL30721857 | 0.72 | ADORA2A (0.41) | ADORA2AADORA2BADORA1DPP4KDM4E | |
| Nitrous Acid SCHEMBL28590291 | 0.71 | DHODH (0.40) | ADORA2AKDM4E | |
| SCHEMBL30738314 | 0.70 | ADORA2B (0.63) | ADORA2AADORA2BADORA1ADORA3NQO2 | |
| SCHEMBL20658598 | 0.69 | ADORA2A (0.49) | ADORA2AADORA2BADORA1DPP4KDM4E |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-113166109-B | Aminopyridine compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-02 | — | — | CN | disclosed |