Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | CDK8 | P49336 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.30 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.30 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
| ▸ | CDK7 | P50613 | 1/20 | 0.30 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13153127 | 0.80 | PDE2A (0.39) | ADORA2ACLK4CDK8ROCK1FLT1 | |
| SCHEMBL2571757 | 0.80 | PDE10A (0.33) | ADORA2ACDK8ROCK1PDE10AMAP4K2 | |
| SCHEMBL2571208 | 0.77 | PDE10A (0.32) | CDK8ROCK1PDE10AMAP4K2AURKB | |
| SCHEMBL24174399 | 0.77 | KDM4E (0.41) | CLK4CDK8ROCK1FLT1CDK9 | |
| SCHEMBL16629908 | 0.77 | DYRK1A (0.40) | ADORA2ACLK4CDK8ROCK1FLT1 | |
| SCHEMBL27360956 | 0.77 | ABL1 (0.35) | ADORA2AABL1KDR | |
| SCHEMBL3607789 | 0.77 | CYP1A2 (0.36) | ADORA2A | |
| SCHEMBL10830372 | 0.77 | ADORA2A (0.33) | ADORA2ACLK4CDK8ROCK1FLT1 | |
| Hydrochloric Acid SCHEMBL2573564 | 0.75 | CYP1A2 (0.35) | — | |
| SCHEMBL28873688 | 0.73 | ADORA2A (0.37) | ADORA2ACLK4CDK8ROCK1FLT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3356345-B1 | HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS | MAX PLANCK GESELLSCHAFT (DE) | 2023-11-08 | — | — | EP | disclosed |
| EP-2137188-B1 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | Bayer Pharma AG (DE) | 2012-06-06 | — | — | EP | disclosed |
| WO-2008113469-A2 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-09-25 | — | — | WO | disclosed |