Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Etafenone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 17/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 SCHEMBL13724598 | 0.98 | ABCB1 (0.53) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL1651223 | 0.85 | ABCB1 (0.65) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL77987 | 0.83 | ABCB1 (0.67) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL29406308 | 0.83 | ABCB1 (0.67) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL219823 | 0.82 | ABCB1 (0.66) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL29846308 | 0.82 | ABCB1 (0.66) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| SCHEMBL10426054 | 0.73 | ABCB1 (0.52) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Hexobendine SCHEMBL28086174 | 0.69 | SCN1A (0.55) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| SCHEMBL1331282 | 0.69 | ABCB1 (1.00) | ABCB1TSHRLMNAKCNH2MEN1 | |
| Etafenone SCHEMBL4715940 | 0.68 | ABCB1 (0.48) | ABCB1TSHRKDM4EALDH1A1LMNA |
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 1 patent. 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 |