Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 10/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28902013 | 0.78 | GRM5 (0.67) | GRM5KCNH2CYP1A2ALDH1A1MAPT | |
| SCHEMBL352291 | 0.78 | GRM5 (0.65) | GRM5KCNH2CYP1A2 | |
| SCHEMBL409064 | 0.78 | GRM5 (0.52) | GRM5KCNH2CYP1A2ALDH1A1MAPT | |
| SCHEMBL2160771 | 0.77 | GRM5 (0.55) | GRM5KCNH2CYP1A2ALDH1A1MAPT | |
| SCHEMBL30107570 | 0.77 | GRM5 (0.55) | GRM5KCNH2CYP1A2ALDH1A1MAPT | |
| SCHEMBL18397266 | 0.76 | GRM5 (0.50) | GRM5KCNH2CYP1A2ALDH1A1MAPT | |
| SCHEMBL28714933 | 0.74 | ALDH1A1 (0.57) | GRM5KCNH2CYP1A2ALDH1A1MAPT | |
| SCHEMBL30206276 | 0.74 | GRM5 (0.45) | GRM5ALDH1A1 | |
| SCHEMBL29610604 | 0.74 | — | — | |
| SCHEMBL5560365 | 0.74 | — | — |
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-2017107089-A1 | 3- (1H-PYRAZOL-4-YL) PYRIDINEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |
| US-6686345-B2 | INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. | RESEARCH DEVELOPMENT FOUNDATION | 2004-02-03 | — | — | US | disclosed |