Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.70 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4865093 | 0.98 | GRM5 (0.68) | GRM5CHRNB2CHRNA4ROCK2MAP4K4 | |
| SCHEMBL14573615 | 0.83 | GRM5 (1.00) | GRM5 | |
| SCHEMBL3959103 | 0.83 | GRM5 (1.00) | GRM5 | |
| SCHEMBL1476734 | 0.79 | GRM5 (0.69) | GRM5CHRNB2CHRNA4CHRNB1CHRNB4 | |
| SCHEMBL22031508 | 0.75 | GRM5 (0.55) | GRM5CHRNB2CHRNA4ROCK2MAP4K4 | |
| SCHEMBL4619271 | 0.74 | GRM5 (0.40) | GRM5DYRK1A | |
| SCHEMBL1476713 | 0.74 | GRM5 (0.58) | GRM5CHRNB2CHRNA4ROCK2MAP4K4 | |
| SCHEMBL1476923 | 0.73 | GRM5 (0.57) | GRM5CHRNB2CHRNA4CHRNB1CHRNB4 | |
| SCHEMBL1477153 | 0.73 | GRM5 (0.57) | GRM5CHRNB2CHRNA4 | |
| SCHEMBL14573621 | 0.73 | GRM5 (1.00) | GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7462619-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-7365074-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-04-29 | — | — | US | disclosed |