Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ILK | Q13418 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3089755 | 0.82 | CYP1A2 (0.38) | PDE10AKDM4EPSMD14USP2 | |
| SCHEMBL1721616 | 0.80 | DHODH (0.46) | PDE10AKDM4EALDH1A1 | |
| SCHEMBL1721617 | 0.77 | PTGDR2 (0.38) | PDE10AKDM4EUSP2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL3496901 | 0.75 | CTSD (0.40) | PDE10ACTSDBACE1EPHX2SCN4A | |
| SCHEMBL1722658 | 0.75 | ALDH1A1 (0.45) | ALDH1A1 | |
| SCHEMBL1723192 | 0.74 | PTGFR (0.40) | PDE10ADDR1 | |
| SCHEMBL1721222 | 0.73 | SORT1 (0.43) | EPHX2KDM4EPSMD14L3MBTL1 | |
| SCHEMBL1721705 | 0.73 | MRGPRX4 (0.38) | ALDH1A1 | |
| SCHEMBL1721493 | 0.73 | MLYCD (0.39) | ALDH1A1 | |
| SCHEMBL1723330 | 0.73 | USP2 (0.42) | KDM4EUSP2ALDH1A1L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406228-B1 | Substituted 3-amino-2-mercaptochinolins as KCNQ2/3 modulators | GRUENENTHAL GMBH (DE) | 2013-09-18 | — | — | EP | disclosed |
| US-8207342-B2 | Substituted 3-amino-2-mercaptoquinolines as KCNQ2/3 modulators | GRUENENTHAL GMBH (DE) | 2012-06-26 | — | — | US | disclosed |
| EP-2406228-A1 | SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010102779-A1 | SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2010-09-16 | — | — | WO | disclosed |
| US-20100234421-A1 | SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS | GRUNENTHAL GMBH (DE) | 2010-09-16 | — | — | US | 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-20100234421-A1 | SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS | KCNQ1, KCNQ2, KCNQ3 | PDE10A 2750/4885CTSD 4670/4885BACE1 4188/4885 |
“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.