Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2644874 | 0.90 | SIGMAR1 (0.41) | SIGMAR1CXCR4HRH2HRH1HRH3 | |
| SCHEMBL2643623 | 0.87 | HRH3 (0.41) | SIGMAR1HRH1HRH3L3MBTL1 | |
| SCHEMBL34468097 | 0.84 | NOS3 (0.48) | SIGMAR1HTR1DHTR1BHRH3DRD2 | |
| SCHEMBL4678193 | 0.84 | NOS3 (0.33) | SIGMAR1DRD2DRD3 | |
| SCHEMBL2644215 | 0.83 | SIGMAR1 (0.47) | SIGMAR1HTR1DHTR1BHRH3CHRM2 | |
| SCHEMBL18011025 | 0.80 | CXCR4 (0.45) | SIGMAR1CXCR4HRH3CHRM2CHRM1 | |
| SCHEMBL4417507 | 0.80 | CXCR4 (0.45) | SIGMAR1CXCR4HRH3CHRM2CHRM1 | |
| SCHEMBL4247408 | 0.75 | CYP1A2 (0.43) | SIGMAR1HRH3L3MBTL1 | |
| SCHEMBL3231418 | 0.74 | SIGMAR1 (0.53) | SIGMAR1CXCR4HTR1DHTR1BHRH2 | |
| SCHEMBL1906096 | 0.72 | SIGMAR1 (0.41) | SIGMAR1CXCR4HRH3CHRM2CHRM1 |
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 60 patents — showing the first 20. 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-6872720-B2 | Pyrazolo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. | 2005-03-29 | — | — | US | disclosed |
| US-6730681-B2 | ANXIOLYTIC AGENTS AND ANTICONVULSANTS | MERCK SHARP & DOHME LTD. | 2004-05-04 | — | — | US | disclosed |
| US-6730676-B2 | CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS | MERCK SHARP & DOHME LTD. | 2004-05-04 | — | — | US | disclosed |
| US-6699859-B1 | TREATMENT OF ANXIETY AND CONVULSIONS. | MERCK SHARP & DOHME LTD. (GB) | 2004-03-02 | — | — | US | disclosed |
| EP-1212324-B1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-10-29 | — | — | EP | disclosed |
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | disclosed |
| US-6608062-B1 | Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety | MERCK SHARP & DOHME LTD. | 2003-08-19 | — | — | US | disclosed |
| US-6593325-B1 | Method for the treatment of anxiety which comprises administering to a patient in need of such treatment an effective amount of the compound of claim 1 or a pharmaceutically acceptable salt thereof. | MERCK SHARP & DOHME LTD. (GB) | 2003-07-15 | — | — | US | disclosed |
| US-20030073717-A1 | Triazolo-pyridine derivatives as ligands for GABA receptors | MERCK & CO., INC. | 2003-04-17 | — | — | US | disclosed |
| WO-2000012505-A2 | TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |
| WO-1999065904-A1 | TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-23 | — | — | WO | disclosed |
| WO-1999065907-A1 | TRIAZOLO-PYRIMIDINES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-23 | — | — | WO | disclosed |
| WO-1999037646-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |
| WO-1999037645-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |
| WO-1999037649-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |
| WO-1999036423-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-22 | — | — | WO | disclosed |
| WO-1999025353-A1 | THERAPEUTIC USES OF TRIAZOLO-PYRIDAZINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1999-05-27 | — | — | WO | 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 |
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-20030073717-A1 | Triazolo-pyridine derivatives as ligands for GABA receptors | GABRA3, GABRA4, GABRA5 | SIGMAR1 436/4885CXCR4 1101/4885HTR1D 189/4885 |
“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.