Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 6/20 | 0.52 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | CASP7 | P55210 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2037406 | 0.88 | NR1H3 (0.52) | NR1H3HSF1KMT2ARAB9AALDH1A1 | |
| SCHEMBL2038581 | 0.84 | NR1H3 (0.43) | NR1H3HSF1KMT2ARAB9AALDH1A1 | |
| SCHEMBL2033630 | 0.81 | CYP1A2 (0.41) | NR1H3KMT2ARAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL2032617 | 0.80 | TSHR (0.73) | NR1H3KMT2ARAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL2037658 | 0.79 | NR1H3 (0.58) | NR1H3KMT2ARAB9AALDH1A1MAPT | |
| SCHEMBL2037657 | 0.78 | NR1H3 (0.41) | NR1H3KMT2ARAB9AALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4465987 | 0.76 | NR1H3 (0.54) | NR1H3KMT2ARAB9AALDH1A1MAPT | |
| SCHEMBL17280009 | 0.74 | NR1H3 (0.70) | NR1H3HSF1KMT2ARAB9AALDH1A1 | |
| SCHEMBL6885397 | 0.72 | PDE10A (0.45) | NR1H3HSF1KMT2ARAB9AALDH1A1 | |
| SCHEMBL2054213 | 0.72 | NR1H2 (0.41) | NR1H3KMT2ARAB9AALDH1A1MAPT |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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-2513106-B1 | HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | LUNDBECK & CO AS H (DK) | 2013-11-06 | — | — | EP | disclosed |
| EP-2513106-B1 | HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | LUNDBECK & CO AS H (DK) | 2013-11-06 | — | — | EP | disclosed |
| US-20130281459-A1 | Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors | H. LUNDBECK A/S (DK) | 2013-10-24 | — | — | US | disclosed |
| US-20130281459-A1 | Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors | H. LUNDBECK A/S (DK) | 2013-10-24 | — | — | 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-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-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-20120309764-A1 | Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors | H. LUNDBECK A/S (DK) | 2012-12-06 | — | — | US | disclosed |
| US-20120309764-A1 | Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors | H. LUNDBECK A/S (DK) | 2012-12-06 | — | — | US | disclosed |
| EP-2513106-A1 | HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. Lundbeck A/S (DK) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011072697-A1 | HETEROAROMATIC ARYL TRIAZOLE 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 (2 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-20130281459-A1 | Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors | PDE5A, PDE3B, PDE3A | NR1H3 1663/4885HSF1 4265/4885KMT2A 1514/4885 |
| US-20120309764-A1 | Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors | PDE5A, PDE3B, PDE3A | NR1H3 1663/4885HSF1 4265/4885KMT2A 1514/4885 |
“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.