Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RPS6KB2 | Q9UBS0 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL1623072 | 0.70 | ADORA2A (0.57) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2ADORA2A | |
| SCHEMBL6280818 | 0.70 | KDM4E (0.48) | ALDH1A1NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL1781624 | 0.69 | MAPT (0.50) | ALDH1A1NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL5026243 | 0.68 | KDM4E (0.48) | ALDH1A1NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL527009 | 0.68 | CYP2A6 (0.43) | ALDH1A1NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL11111178 | 0.68 | AHR (0.46) | ALDH1A1NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL30041839 | 0.68 | CYP2A6 (0.43) | ALDH1A1NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL13977912 | 0.68 | KDM4E (0.52) | ALDH1A1NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL10836135 | 0.68 | RAB9A (0.46) | ALDH1A1NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL2646929 | 0.67 | CASP1 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6828322-B2 | Substituted 1,2, 4-triazolo(4,3-b)pyridazine derivatives; anxiolytic; anticonvulsant; antimigraine | MERCK SHARP & DOHME LTD. | 2004-12-07 | — | — | US | disclosed |
| US-20040063714-A1 | Triazolo-pyridazine derivatives as ligands for GABA receptors | CARLING WILLIAM ROBERT (GB) | 2004-04-01 | — | — | US | disclosed |
| US-6579875-B1 | Treatment of anxiety and convulsions; 7-cyclobutyl-3-(2,6-difluorophenyl)-6-(2-methyl-2H-1,2,4-triazol-3 -ylmethyoxy)-1,2,4-triazolo(4,3-b) pyridazine | MERCK SHARP & DOHME LIMITED | 2003-06-17 | — | — | US | disclosed |
| CN-1110498-C | Triazolo-pyridazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME (GB) | 2003-06-04 | — | — | CN | disclosed |
| CN-1288465-A | Triazolo-pyridazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME (GB) | 2001-03-21 | — | — | CN | disclosed |
| EP-1049696-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037644-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040063714-A1 | Triazolo-pyridazine derivatives as ligands for GABA receptors | GABRA3, GABBR1, GABRA2 | ALDH1A1 1373/4885NPC1 3613/4885RAB9A 2820/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.