Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DUT | P33316 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13161025 | 0.85 | CYP2C9 (0.50) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL13563914 | 0.82 | HRH4 (0.47) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL13563926 | 0.81 | HRH4 (0.46) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL14416082 | 0.77 | CPB2 (0.41) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL22900855 | 0.76 | CPB2 (0.31) | — | |
| SCHEMBL8738612 | 0.75 | — | — | |
| SCHEMBL14562252 | 0.72 | CYP2C9 (0.44) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL1097103 | 0.72 | SIRT2 (0.42) | CYP2C9TSHRCYP2C19TDP1 | |
| SCHEMBL21366009 | 0.72 | — | — | |
| SCHEMBL16125138 | 0.72 | HTT (0.34) | — |
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-0915875-B1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-04-09 | — | — | EP | disclosed |
| US-6255305-B1 | PSYCHOLOGICAL DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-03 | — | — | US | disclosed |
| EP-0915875-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004559-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1998-02-05 | — | — | WO | disclosed |