Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | GCG | P01275 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5216262 | 0.85 | PDE10A (0.45) | GRM4PDE10ANPC1RAB9AKDR | |
| SCHEMBL5217917 | 0.78 | IRAK4 (0.57) | GRM5GRM4PDE10ANPC1RAB9A | |
| SCHEMBL3921694 | 0.78 | PDE10A (0.51) | GRM5GRM4PDE10AKDRCNR2 | |
| SCHEMBL5217012 | 0.76 | GRM5 (0.61) | GRM5GRM4PDE10ANPC1RAB9A | |
| SCHEMBL11962636 | 0.76 | PDE10A (0.49) | GRM5GRM4PDE10ANPC1KDR | |
| SCHEMBL3929725 | 0.76 | GRM5 (0.60) | GRM5GRM4PDE10AKDRIRAK4 | |
| SCHEMBL5669546 | 0.75 | CYP2A6 (0.59) | GRM5GRM4PDE10ANPC1RAB9A | |
| SCHEMBL5215696 | 0.75 | GRM5 (0.47) | GRM5GRM4PDE10AKDRTGFBR1 | |
| SCHEMBL15945076 | 0.74 | GRM5 (0.66) | GRM5GRM4PDE10AKDR | |
| SCHEMBL3928550 | 0.73 | GRM5 (0.51) | GRM5GRM4PDE10ANPC1KDR |
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-2020087202-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2020-05-07 | — | — | WO | disclosed |