Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Tetrylammonium. 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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 6/20 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL17180005 | 0.93 | DNM1 (0.56) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Trifluoromethanesulfonic Acid SCHEMBL28812353 | 0.93 | SLC22A1 (0.54) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Trifluoromethanesulfonic Acid SCHEMBL2857295 | 0.93 | SLC22A1 (0.54) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrahexylammonium SCHEMBL2862380 | 0.93 | SLC22A1 (0.54) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Trifluoromethanesulfonic Acid SCHEMBL28585900 | 0.91 | SLC22A1 (0.52) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Trifluoromethanesulfonic Acid SCHEMBL15466216 | 0.91 | SLC22A1 (0.52) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Trifluoromethanesulfonic Acid SCHEMBL302110 | 0.91 | SLC22A1 (0.52) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrapentylammonium SCHEMBL2862362 | 0.91 | SLC22A1 (0.52) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL160605 | 0.87 | SLC22A1 (0.52) | DNM1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL30789018 | 0.87 | SLC22A1 (0.52) | DNM1ALDH1A1TP53CYP3A4ALOX15 |
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-116322668-A | Synthetic method for preparing 4- (2-chloro-4-methoxy-5-methylphenyl) -N- [ (1S) -2-cyclopropyl-1- (3-fluoro-4-methylphenyl) ethyl ] -5-methyl-N-prop-2-ynyl-1, 3-thiazol-2-amine | 纽罗克里生物科学有限公司 | 2023-06-23 | — | — | CN | disclosed |