Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | F2 | P00734 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.55 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.55 |
| ▸ | EGFR | P00533 | 2/20 | 0.55 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27947699 | 0.98 | ALDH1A1 (0.56) | ALDH1A1HPGDF2GLAPDGFRB | |
| Butane SCHEMBL27931334 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HPGDF2GLAPDGFRB | |
| SCHEMBL1041979 | 0.87 | HPGDS (0.56) | ALDH1A1PDGFRBPDGFRAEGFRCYP2A6 | |
| SCHEMBL7550766 | 0.86 | PDGFRB (0.45) | ALDH1A1HPGDF2GLAPDGFRB | |
| Ammonia Solution, Strong SCHEMBL27616956 | 0.86 | HPGDS (0.56) | ALDH1A1PDGFRBPDGFRAEGFRCYP2A6 | |
| SCHEMBL28158355 | 0.83 | PDGFRB (0.40) | ALDH1A1HPGDF2GLAPDGFRB | |
| SCHEMBL7028923 | 0.81 | ALDH1A1 (0.70) | ALDH1A1HPGDF2GLAPDGFRB | |
| SCHEMBL14917021 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDF2GLAPDGFRB | |
| SCHEMBL23748323 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HPGDPDGFRBPDGFRACYP2A6 | |
| SCHEMBL186997 | 0.78 | FDPS (0.43) | ALDH1A1HPGDF2GLAPDGFRB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670181-B2 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) | ALLERGAN, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| EP-2675791-B1 | SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) | ALLERGAN INC (US) | 2016-02-17 | — | — | EP | disclosed |
| US-20140309253-A1 | SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) | ALLERGAN, INC. | 2014-10-16 | — | — | US | disclosed |
| US-8772316-B2 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A) | ALLERGAN, INC. (US) | 2014-07-08 | — | — | US | disclosed |
| EP-2675791-A1 | SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) | Allergan, Inc. (US) | 2013-12-25 | — | — | EP | disclosed |
| US-20120214837-A1 | SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) | EXONHIT THERAPEUTICS SA (FR) | 2012-08-23 | — | — | US | disclosed |
| WO-2012112946-A1 | SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) | ALLERGAN, INC. (US) | 2012-08-23 | — | — | WO | disclosed |
| WO-2008035049-A1 | ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2008-03-27 | — | — | 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-20140309253-A1 | SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) | PDE10A, PDE6A, PDE9A | ALDH1A1 125/4885HPGD 1671/4885F2 4363/4885 |
| US-20120214837-A1 | SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) | PDE10A, PDE6A, PDE9A | ALDH1A1 142/4885HPGD 1806/4885F2 4369/4885 |
“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.