Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Trimethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.48 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.48 |
| ▸ | TGM2 | P21980 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL156970 | 0.98 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Trimethylammonium SCHEMBL1232762 | 0.95 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Trimethylammonium SCHEMBL867400 | 0.95 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Trimethylammonium SCHEMBL28049116 | 0.95 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| SCHEMBL17047583 | 0.91 | TSHR (0.62) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| SCHEMBL15005 | 0.91 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL446715 | 0.89 | TSHR (0.50) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Ammonia Solution, Strong SCHEMBL7047525 | 0.88 | — | — | |
| SCHEMBL3661744 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3129031 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018071462-A1 | ARTICLES COMPRISING AN OIL CAPTURE POLYMER | THE PROCTER & GAMBLE COMPANY (US) | 2018-04-19 | — | — | WO | claimed |
| US-20180100250-A1 | Articles Comprising an Oil Capture Polymer | THE PROCTER & GAMBLE COMPANY | 2018-04-12 | — | — | US | claimed |
| US-7737237-B2 | Controlled structure copolymer comprising an amphoteric or zwitterionic part | PHODIA CHIMIE (FR) | 2010-06-15 | — | — | US | claimed |
| US-20060217285-A1 | Controlled structure copolymer comprising an amphoteric or zwitterionic part | RHODIA CHIMIE (FR) | 2006-09-28 | — | — | US | claimed |