Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Etilamfetamine. 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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 13/20 | 0.92 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.59 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Etilamfetamine SCHEMBL16866783 | 0.96 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Etilamfetamine SCHEMBL309802 | 0.96 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Etilamfetamine SCHEMBL27754453 | 0.96 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Etilamfetamine SCHEMBL162316 | 0.96 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Etilamfetamine SCHEMBL727383 | 0.94 | SIGMAR1 (0.96) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL29059547 | 0.81 | SIGMAR1 (0.81) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL9134313 | 0.80 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL711506 | 0.80 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| N-Benzylamphetamine SCHEMBL2798189 | 0.79 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| N-Benzylamphetamine SCHEMBL2795222 | 0.79 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9526793-B1 | Salts of phenylethylamines and inorganic acids and methods of use thereof | KRAMER RONALD (US) | 2016-12-27 | — | — | US | disclosed |
| 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 |