Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 13/20 | 0.50 |
| ▸ | JAK2 | O60674 | 7/20 | 0.43 |
| ▸ | JAK3 | P52333 | 3/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2037650 | 0.83 | PDE10A (0.49) | PDE10AJAK2JAK3PTK2 | |
| Hydrochloric Acid SCHEMBL2044695 | 0.80 | PDE10A (0.54) | PDE10A | |
| SCHEMBL2036204 | 0.76 | PDE10A (0.52) | PDE10AJAK2JAK3PTK2 | |
| SCHEMBL15372447 | 0.75 | PDE10A (0.51) | PDE10AJAK2JAK3PTK2 | |
| SCHEMBL14124014 | 0.75 | PDE10A (0.51) | PDE10AJAK2JAK3PTK2 | |
| Hydrochloric Acid SCHEMBL7511324 | 0.72 | PDE10A (0.43) | PDE10A | |
| Hydrochloric Acid SCHEMBL7511480 | 0.72 | HTR2A (0.37) | PDE10A | |
| Hydrochloric Acid SCHEMBL7453493 | 0.71 | PDE10A (0.54) | PDE10A | |
| SCHEMBL2040364 | 0.70 | PDE10A (0.57) | PDE10AJAK2JAK3 | |
| SCHEMBL2251839 | 0.68 | JAK2 (0.50) | PDE10AJAK2JAK3 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8927738-B2 | 2-arylimidazole derivatives as PDE10A enzyme inhibitors | H. LUNDBECK A/S (DK) | 2015-01-06 | — | — | US | disclosed |
| US-8785653-B2 | (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives | H. LUNDBECK A/S (DK) | 2014-07-22 | — | — | US | disclosed |
| EP-2513105-B1 | 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | LUNDBECK & CO AS H (DK) | 2014-05-14 | — | — | EP | disclosed |
| EP-2513106-B1 | HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | LUNDBECK & CO AS H (DK) | 2013-11-06 | — | — | EP | disclosed |
| US-20130289038-A1 | 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. LUNDBECK A/S (DK) | 2013-10-31 | — | — | US | disclosed |
| US-20130281459-A1 | Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors | H. LUNDBECK A/S (DK) | 2013-10-24 | — | — | US | disclosed |
| US-8501797-B2 | (2-aryl-1H-imidazol-4-yl)-linked heterocycle derivatives | H. LUNDBECK A/S (DK) | 2013-08-06 | — | — | US | disclosed |
| US-8501795-B2 | (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives | H. LUNDBECK A/S (DK) | 2013-08-06 | — | — | US | disclosed |
| US-20120309764-A1 | Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors | H. LUNDBECK A/S (DK) | 2012-12-06 | — | — | US | disclosed |
| US-20120302548-A1 | 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. LUNDBECK A/S (DK) | 2012-11-29 | — | — | US | disclosed |
| EP-2513106-A1 | HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. Lundbeck A/S (DK) | 2012-10-24 | — | — | EP | disclosed |
| EP-2513105-A1 | 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. Lundbeck A/S (DK) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011072696-A1 | 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. LUNDBECK A/S (DK) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011072697-A1 | HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. LUNDBECK A/S (DK) | 2011-06-23 | — | — | 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 (4 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-20130289038-A1 | 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | PDE12, PDE3B, PDE5A | PDE10A 5/4885JAK2 1217/4885JAK3 836/4885 |
| US-20130281459-A1 | Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors | PDE5A, PDE3B, PDE3A | PDE10A 5/4885JAK2 1859/4885JAK3 894/4885 |
| US-20120309764-A1 | Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors | PDE5A, PDE3B, PDE3A | PDE10A 5/4885JAK2 1859/4885JAK3 894/4885 |
| US-20120302548-A1 | 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | PDE12, PDE3B, PDE5A | PDE10A 5/4885JAK2 1217/4885JAK3 836/4885 |
“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.