Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1722353 | 0.75 | PDE7A (0.43) | KDM4ERXFP1TDP1PDE10AMAPT | |
| SCHEMBL3110055 | 0.70 | PDE10A (0.56) | KDM4ERXFP1TDP1PDE10AMAPT | |
| SCHEMBL9601532 | 0.62 | MAPT (0.41) | KDM4EPDE10AMAPTPDE7AELANE | |
| SCHEMBL14140209 | 0.61 | KDM4E (0.59) | KDM4ETDP1PDE10AMAPTPDE7A | |
| SCHEMBL6159158 | 0.61 | EGFR (0.50) | KDM4EEGFRALDH1A1SMN1; SMN2 | |
| SCHEMBL31678400 | 0.61 | GPR3 (0.58) | KDM4ETDP1PDE10AMAPTELANE | |
| SCHEMBL50940 | 0.61 | GPR3 (0.58) | KDM4ETDP1PDE10AMAPTELANE | |
| Iodide SCHEMBL10805793 | 0.59 | GPR3 (0.56) | KDM4ETDP1PDE10AMAPTELANE | |
| SCHEMBL13788323 | 0.59 | HRH4 (0.67) | KDM4ETDP1EGFRMAPTMEN1 | |
| SCHEMBL15195139 | 0.59 | PDE7A (0.68) | KDM4ETDP1PDE10AMAPTPDE7A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |