Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | VCP | P55072 | 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 | |
|---|---|---|---|---|
| SCHEMBL2038454 | 0.84 | PDE10A (0.43) | NR1H3LMNAALDH1A1GAACASP3 | |
| SCHEMBL2035921 | 0.81 | NR1H3 (0.45) | NR1H3LMNAALDH1A1GAACASP3 | |
| SCHEMBL7921132 | 0.72 | NR1H3 (0.53) | NR1H3LMNAALDH1A1GAACASP3 | |
| Biphenyl SCHEMBL10530521 | 0.70 | TSHR (0.68) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL2039451 | 0.69 | PDE10A (0.48) | NR1H3LMNAALDH1A1GAACASP3 | |
| SCHEMBL13899417 | 0.69 | CTSS (0.46) | NR1H3NR1H2NPC1RAB9A | |
| SCHEMBL21889546 | 0.69 | AOC3 (0.61) | MAOB | |
| Ethylene Glycol SCHEMBL130292 | 0.68 | TSHR (0.79) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| Ethylene Glycol SCHEMBL27981962 | 0.66 | TSHR (0.75) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| Biphenyl SCHEMBL1702724 | 0.66 | TSHR (0.83) | ALDH1A1TSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102753550-B | Heteroaromatic aryl triazole derivatives as pde10a enzyme inhibitors | LUNDBECK & CO AS H | 2015-03-25 | — | — | CN | 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 |
| 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-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 |
| CN-102753550-A | Heteroaromatic aryl triazole derivatives as pde10a enzyme inhibitors | LUNDBECK & CO AS H | 2012-10-24 | — | — | CN | 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 1663/4885LMNA 3934/4885ALDH1A1 120/4885 |
| US-20120309764-A1 | Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors | PDE5A, PDE3B, PDE3A | NR1H3 1663/4885LMNA 3934/4885ALDH1A1 120/4885 |
“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.