Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2644562 | 0.87 | KDM1A (0.38) | HTR2CHTR2BALDH1A1GAATSHR | |
| SCHEMBL2646348 | 0.81 | CUL4A (0.33) | HTR2CHTR2BCES2CES1 | |
| SCHEMBL2644701 | 0.69 | KDM1A (0.34) | ALDH1A1GAA | |
| SCHEMBL15621267 | 0.66 | POLB (0.54) | HTR2CHTR2BCES2BCHECES1 | |
| SCHEMBL29852080 | 0.66 | POLB (0.54) | HTR2CHTR2BCES2BCHECES1 | |
| SCHEMBL8746349 | 0.63 | CES2 (0.40) | HTR2CHTR2BCES2BCHECES1 | |
| SCHEMBL8746351 | 0.62 | CES2 (0.39) | HTR2CHTR2BCES2BCHECES1 | |
| SCHEMBL428500 | 0.61 | TP53 (0.43) | HTR2CHTR2BCES2BCHECES1 | |
| SCHEMBL6953639 | 0.60 | GAA (0.45) | HTR2CHTR2BCES2BCHECES1 | |
| SCHEMBL20833596 | 0.60 | HTR2C (0.49) | HTR2CHTR2BCES2BCHECES1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1121361-B1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2007-08-29 | — | — | EP | disclosed |
| US-6476030-B1 | Pyrazolo-triazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. | 2002-11-05 | — | — | US | disclosed |
| EP-1121361-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | Merck Sharp & Dohme Limited (GB) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000023449-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-04-27 | — | — | WO | disclosed |