Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 12/20 | 0.63 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ADK | P55263 | 1/20 | 0.48 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12838246 | 0.83 | PDE10A (0.67) | PDE10APDPK1PDE5APDE1BPDE4D | |
| SCHEMBL7398110 | 0.80 | PDE10A (0.63) | PDE10APDE5APDE1BPDE4DPDE3A | |
| SCHEMBL27164693 | 0.80 | HSP90AB1 (0.48) | PDE10APDPK1HSD17B10KDM4EHSP90AB1 | |
| SCHEMBL17897194 | 0.80 | PDPK1 (0.46) | PDE10APDPK1HSD17B10KDM4EHSP90AB1 | |
| SCHEMBL12766975 | 0.78 | PDE10A (0.60) | PDE10APDE5APDE1BPDE4DPDE3A | |
| SCHEMBL26330309 | 0.76 | PDE10A (0.47) | PDE10AKDM4EHSP90AB1ADORA3ADORA1 | |
| SCHEMBL17897308 | 0.76 | ADORA2A (0.57) | HSP90AB1 | |
| SCHEMBL26330322 | 0.75 | HSP90AB1 (0.52) | PDE10AHSD17B10HSP90AB1HAVCR2 | |
| SCHEMBL22987943 | 0.73 | PDE10A (0.45) | PDE10APDPK1HSD17B10KDM4EHSP90AB1 | |
| SCHEMBL17342860 | 0.73 | ADORA2A (0.44) | PDE10APDPK1HSD17B10KDM4EHSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023158626-A1 | ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-08-24 | — | — | WO | disclosed |
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |