Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 7/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1843229 | 0.80 | ALDH1A1 (0.56) | BRD4ALDH1A1SMN1; SMN2KDM4EBRPF1 | |
| Ammonia Solution, Strong SCHEMBL1842927 | 0.78 | ALDH1A1 (0.55) | BRD4ALDH1A1SMN1; SMN2KDM4EBRPF1 | |
| Hydrochloric Acid SCHEMBL16736534 | 0.78 | ALDH1A1 (0.55) | BRD4ALDH1A1SMN1; SMN2KDM4EBRPF1 | |
| SCHEMBL10145950 | 0.75 | MAPK14 (0.53) | MAPK14GRM2BRD4ALDH1A1SMN1; SMN2 | |
| SCHEMBL768881 | 0.74 | MAPK14 (0.58) | MAPK14ALDH1A1 | |
| SCHEMBL15828332 | 0.71 | PABPC1 (0.43) | MAPK14BRD4ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL31131353 | 0.71 | MAOA (0.84) | ALDH1A1KDM4EHSD17B10MAOACA12 | |
| SCHEMBL29561461 | 0.71 | MAOA (0.84) | ALDH1A1KDM4EHSD17B10MAOACA12 | |
| SCHEMBL311194 | 0.71 | MAOA (0.84) | ALDH1A1KDM4EHSD17B10MAOACA12 | |
| Ethane SCHEMBL28815160 | 0.71 | MAOA (0.75) | ALDH1A1KDM4EMAOACA12CA1 |
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-2012021382-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | WO | disclosed |