Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 3/20 | 0.70 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | ESR1 | P03372 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | HTR1A | P08908 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | CASP1 | P29466 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.70 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.70 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL12505604 | 0.89 | KCNQ3 (0.74) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| SCHEMBL4890687 | 0.88 | KCNQ3 (0.72) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL31741641 | 0.87 | KCNQ3 (0.71) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL10786035 | 0.87 | KCNQ3 (0.71) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| SCHEMBL20641737 | 0.86 | KCNQ3 (0.80) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| SCHEMBL29754330 | 0.83 | KCNQ3 (0.69) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| SCHEMBL10786711 | 0.83 | KCNQ3 (0.69) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| Flupirtine SCHEMBL25009 | 0.83 | KCNQ2 (1.00) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| SCHEMBL20654773 | 0.83 | KCNQ3 (0.76) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 | |
| Flupirtine SCHEMBL15357226 | 0.83 | KCNQ2 (1.00) | KCNQ3KCNQ2ABCB11ESR1CYP1A2 |
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-2655328-A1 | NOVEL MULTICOMPONENT CRYSTALS MADE OF ([2-AMINO-6-(4-FLUORO-BENZYLAMINO)- PYRIDIN-3-YL]-CARBAMIC ACID ETHYL ESTER AND 2-[2-[(2,6-DICHLORPHENYL)-AMINO]-PHENYL]-ACETIC ACID | AWD.pharma GmbH & Co.KG (DE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012084975-A1 | NOVEL MULTICOMPONENT CRYSTALS MADE OF ([2-AMINO-6-(4-FLUORO-BENZYLAMINO)- PYRIDIN-3-YL]-CARBAMIC ACID ETHYL ESTER AND 2-[2-[(2,6-DICHLORPHENYL)-AMINO]-PHENYL]-ACETIC ACID | AWD.PHARMA GMBH & CO. KG (DE) | 2012-06-28 | — | — | WO | disclosed |