Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hexobendine. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 3/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Etafenone SCHEMBL1651223 | 0.80 | ABCB1 (0.65) | SCN1ASCN2ASCN3AABCB1TSHR | |
| Etafenone SCHEMBL77987 | 0.78 | ABCB1 (0.67) | SCN1ASCN2ASCN3AABCB1TSHR | |
| Etafenone SCHEMBL29406308 | 0.78 | ABCB1 (0.67) | SCN1ASCN2ASCN3AABCB1TSHR | |
| Etafenone SCHEMBL219823 | 0.77 | ABCB1 (0.66) | SCN1ASCN2ASCN3ACYP3A4MEN1 | |
| Etafenone SCHEMBL29846308 | 0.77 | ABCB1 (0.66) | SCN1ASCN2ASCN3ACYP3A4MEN1 | |
| Hexobendine SCHEMBL125629 | 0.74 | SCN1A (1.00) | SCN1ASCN2ASCN3ACYP3A4CYP2D6 | |
| Hexobendine SCHEMBL317378 | 0.73 | SCN1A (0.97) | SCN1ASCN2ASCN3ACYP3A4CYP2D6 | |
| Hexobendine SCHEMBL10402178 | 0.73 | SCN1A (0.97) | SCN1ASCN2ASCN3ACYP3A4CYP2D6 | |
| Hexobendine SCHEMBL2459088 | 0.73 | SCN1A (0.97) | SCN1ASCN2ASCN3ACYP3A4CYP2D6 | |
| SCHEMBL29759108 | 0.71 | CYP2D6 (0.80) | SCN1ASCN2ASCN3ACYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |