Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21416115 | 0.78 | KDM4E (0.41) | KDM4ESIRT2ADORA2AADORA1ADORA2B | |
| SCHEMBL15576338 | 0.74 | SIRT2 (0.37) | PDE10AKDM4ESIRT2ADORA2AADORA1 | |
| SCHEMBL12854738 | 0.73 | KDM4E (0.37) | KDM4ESIRT2ADORA2AADORA1ADORA2B | |
| SCHEMBL13846228 | 0.71 | — | — | |
| SCHEMBL20085793 | 0.69 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL28104016 | 0.69 | PDE10A (0.40) | PDE10AKDM4EHTTPGK1 | |
| SCHEMBL4060781 | 0.69 | GALR3 (0.56) | KDM4ESIRT2HTTALDH1A1PGK1 | |
| SCHEMBL15904291 | 0.67 | PDE10A (0.42) | PDE10AKDM4EPGK1 | |
| SCHEMBL14805352 | 0.67 | CHEK1 (0.39) | KDM4ESIRT2FFAR2EGFRALDH1A1 | |
| SCHEMBL21346508 | 0.67 | KDM4E (0.41) | PDE10AKDM4ESIRT2FFAR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2755958-B1 | AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY | MERCK PATENT GMBH (DE) | 2017-08-09 | — | — | EP | disclosed |