Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Flupirtine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 9/20 | 0.96 |
| ▸ | KCNQ3 | O43525 | 7/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.96 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.96 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.96 |
| ▸ | ESR1 | P03372 | 1/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.96 |
| ▸ | HTR1A | P08908 | 1/20 | 0.96 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.96 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.96 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.96 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.96 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.96 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.96 |
| ▸ | CASP1 | P29466 | 1/20 | 0.96 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.96 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.96 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.96 |
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 | |
|---|---|---|---|---|
| Flupirtine SCHEMBL15357226 | 0.98 | KCNQ2 (1.00) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL29400613 | 0.98 | KCNQ2 (1.00) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL3896230 | 0.98 | KCNQ2 (1.00) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL25009 | 0.98 | KCNQ2 (1.00) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL505535 | 0.97 | KCNQ2 (0.98) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL28262990 | 0.97 | KCNQ2 (0.98) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL505847 | 0.97 | KCNQ2 (0.98) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL505680 | 0.96 | KCNQ2 (0.96) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL505446 | 0.96 | KCNQ2 (0.96) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Flupirtine SCHEMBL505608 | 0.94 | KCNQ2 (0.94) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |