Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL901582 | 0.76 | ADORA2B (0.57) | ADORA2BADORA2AMAPK14MAPK13MAPK12 | |
| SCHEMBL18039107 | 0.73 | ADORA2B (0.68) | ADORA2BADORA2AALDH1A1KMT2AMAPK14 | |
| SCHEMBL19837870 | 0.72 | ADORA2B (0.49) | ADORA2BADORA2AALDH1A1KMT2AMAPK14 | |
| SCHEMBL22323484 | 0.71 | RPS6KA3 (0.41) | ADORA2BKDM4EALDH1A1KMT2ABACE1 | |
| SCHEMBL30519765 | 0.71 | AXL (0.41) | ADORA2AKDR | |
| SCHEMBL26025615 | 0.71 | AXL (0.41) | ADORA2AKDR | |
| SCHEMBL24360872 | 0.71 | BACE1 (0.48) | ADORA2AKDM4EALDH1A1BACE1S1PR1 | |
| SCHEMBL30115293 | 0.70 | TRPV1 (0.54) | KIF11 | |
| SCHEMBL22117225 | 0.70 | BACE1 (0.40) | ADORA2BKDM4EALDH1A1KMT2ABACE1 | |
| SCHEMBL22323259 | 0.69 | CYP1A2 (0.43) | KDM4EALDH1A1KMT2ABACE1S1PR1 |
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-2011012661-A1 | PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS | NOVARTIS AG (CH) | 2011-02-03 | — | — | WO | disclosed |