Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL2647730 | 0.83 | POLB (0.34) | ADORA2A | |
| SCHEMBL7118968 | 0.83 | ATM (0.36) | CYP1A2SMN1; SMN2KITATM | |
| SCHEMBL2652285 | 0.83 | — | — | |
| SCHEMBL6474283 | 0.79 | UBE2M (0.35) | — | |
| SCHEMBL12794078 | 0.75 | — | — | |
| SCHEMBL2935553 | 0.74 | — | — | |
| SCHEMBL246894 | 0.73 | — | — | |
| SCHEMBL12680648 | 0.69 | ATM (0.33) | CYP1A2SMN1; SMN2KITATM | |
| SCHEMBL17723535 | 0.67 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL16181410 | 0.66 | HTT (0.42) | CYP1A2SMN1; SMN2KIT |
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-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | disclosed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |
| EP-1049697-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037645-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |