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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 16/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | SCN1A | P35498 | 1/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.52 |
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 SCHEMBL77987 | 0.97 | ABCB1 (0.67) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL29406308 | 0.97 | ABCB1 (0.67) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL219823 | 0.96 | ABCB1 (0.66) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL29846308 | 0.96 | ABCB1 (0.66) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL28142810 | 0.85 | ABCB1 (0.52) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| SCHEMBL10426054 | 0.84 | ABCB1 (0.52) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL13724598 | 0.82 | ABCB1 (0.53) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| SCHEMBL11338177 | 0.80 | ALDH1A1 (0.76) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Hexobendine SCHEMBL28086174 | 0.80 | SCN1A (0.55) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11671640 | 0.79 | ALDH1A1 (0.74) | ABCB1KDM4EALDH1A1LMNADRD2 |
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 6 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 |
| EP-1697303-A4 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES (US) | 2007-07-04 | — | — | EP | disclosed |
| EP-1697303-A1 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES, INC. (US) | 2006-09-06 | — | — | EP | disclosed |
| US-20060047171-A1 | Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof | STIEFEL LABORATORIES, INC. | 2006-03-02 | — | — | US | disclosed |
| WO-2005068414-A1 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES, INC. (US) | 2005-07-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060047171-A1 | Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof | HPD, HNMT, PRPH | ABCB1 4188/4885TSHR 4814/4885KDM4E 1297/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.