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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.80 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.80 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.73 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.73 |
| ▸ | ATM | Q13315 | 1/20 | 0.73 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tetrylammonium SCHEMBL27856337 | 0.95 | TSHR (0.89) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL863 | 0.95 | TSHR (0.89) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL130338 | 0.95 | TSHR (0.89) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL130339 | 0.90 | TSHR (0.80) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL11504492 | 0.90 | TSHR (0.80) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL28542058 | 0.90 | TSHR (0.80) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL2328980 | 0.90 | TSHR (0.80) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL7979969 | 0.90 | TSHR (0.80) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL8704469 | 0.90 | TSHR (0.80) | TSHRNFKB1KCNA1KDM4EPMP22 | |
| Tetrylammonium SCHEMBL6560332 | 0.90 | KDM4E (0.90) | TSHRNFKB1KCNA1KDM4EPMP22 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1209160-B1 | PROCESS FOR THE PREPARATION OF CEPHEM COMPOUNDS | OTSUKA KAGAKU KK (JP) | 2004-03-10 | — | — | EP | disclosed |
| US-6576761-B1 | Reacting with alkenyl halide in presence of nickel compound; dehalogenation, desulfonation | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 2003-06-10 | — | — | US | disclosed |
| EP-1209160-A1 | PROCESS FOR THE PREPARATION OF CEPHEM COMPOUNDS | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 2002-05-29 | — | — | EP | disclosed |