Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | EED | O75530 | 1/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 11/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 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 | |
|---|---|---|---|---|
| SCHEMBL17524897 | 0.85 | CHRM3 (0.36) | CHRM3CALCRLL3MBTL3L3MBTL1GFER | |
| SCHEMBL17525016 | 0.79 | CHRM3 (0.38) | CHRM3CALCRLMAPK1L3MBTL3L3MBTL1 | |
| SCHEMBL17525092 | 0.74 | GFER (0.37) | CHRM3L3MBTL1GFER | |
| SCHEMBL17525115 | 0.73 | CHRM3 (0.35) | CHRM3CALCRLL3MBTL3L3MBTL1GFER | |
| SCHEMBL17524896 | 0.72 | CHRM3 (0.43) | CHRM3L3MBTL3L3MBTL1CHRNA1CHRNB2 | |
| SCHEMBL2866213 | 0.71 | MAPK1 (0.52) | CALCRLMAPK1CDK5CDK5R1 | |
| SCHEMBL17525071 | 0.71 | IDH1 (0.38) | CHRM3MAPK1 | |
| SCHEMBL16817013 | 0.71 | CHRM3 (0.52) | CHRM3CALCRLL3MBTL3L3MBTL1GFER | |
| SCHEMBL17506421 | 0.71 | SIRT6 (0.39) | — | |
| SCHEMBL17506480 | 0.70 | GFER (0.43) | CHRM3CALCRLGFER |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |