Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.42 |
| ▸ | MINK1 | Q8N4C8 | 3/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL15229110 | 0.86 | ADORA2B (0.44) | ADORA2BADORA2ANQO2IDO1MAP4K4 | |
| SCHEMBL4753013 | 0.83 | ADORA2B (0.43) | ADORA2BADORA2ANQO2IDO1MAP4K4 | |
| SCHEMBL31333788 | 0.82 | TGFBR1 (0.42) | ADORA2BNQO2BTKMAP4K4RPS6KA5 | |
| SCHEMBL30919926 | 0.81 | MAPK14 (0.42) | BTKMAPK1RPS6KA5MAPK13MAPK12 | |
| SCHEMBL30037423 | 0.78 | BTK (0.51) | ADORA2BADORA2ABTKIDO1MAPK1 | |
| SCHEMBL25551842 | 0.78 | BTK (0.51) | ADORA2BADORA2ABTKIDO1MAPK1 | |
| SCHEMBL30919644 | 0.78 | BTK (0.40) | ADORA2BADORA2ABTKMAPK1RPS6KA5 | |
| SCHEMBL30919687 | 0.77 | BTK (0.40) | ADORA2ABTKRPS6KA5MAPK13MAPK12 | |
| SCHEMBL7539390 | 0.77 | AHR (0.48) | BTKIDO1MAPT | |
| SCHEMBL30036996 | 0.76 | KCNQ3 (0.42) | BTKMAPK1RPS6KA5 |
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-2012101065-A2 | PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |