Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 10/20 | 0.45 |
| ▸ | CES1 | P23141 | 9/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 SCHEMBL27704220 | 0.98 | RAB9A (0.45) | RAB9ACES2CES1LMNAEGFR | |
| Trimethylammonium SCHEMBL598821 | 0.97 | RAB9A (0.46) | RAB9ACES2CES1LMNAEGFR | |
| Trimethylammonium SCHEMBL597991 | 0.97 | RAB9A (0.46) | RAB9ACES2CES1LMNAEGFR | |
| SCHEMBL2065186 | 0.92 | CES2 (0.54) | RAB9ACES2CES1LMNAAKT1 | |
| Water SCHEMBL6094264 | 0.90 | CES2 (0.52) | RAB9ACES2CES1LMNAAKT1 | |
| Ammonia Solution, Strong SCHEMBL4936520 | 0.90 | CES2 (0.52) | RAB9ACES2CES1LMNAAKT1 | |
| Iodide SCHEMBL598608 | 0.88 | CES2 (0.40) | RAB9ACES2CES1LMNAEGFR | |
| Hydrochloric Acid SCHEMBL600672 | 0.85 | EGFR (0.41) | RAB9ACES2CES1LMNAEGFR | |
| Bromide SCHEMBL599217 | 0.85 | CES2 (0.40) | RAB9ACES2CES1LMNAEGFR | |
| SCHEMBL5925092 | 0.84 | CES2 (0.45) | RAB9ACES2CES1LMNAAKT1 |
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-8114933-B2 | Thermoplastic resin composition with low coefficient of linear thermal expansion | CHEIL INDUSTRIES INC. (KR) | 2012-02-14 | — | — | US | disclosed |
| EP-1828306-B1 | ABS RESIN COMPOSITION WITH LOW COEFFICIENT OF LINEAR THERMAL EXPANSION | CHEIL IND INC (KR) | 2009-04-08 | — | — | EP | disclosed |
| EP-1828306-A4 | ABS RESIN COMPOSITION WITH LOW COEFFICIENT OF LINEAR THERMAL EXPANSION | CHEIL IND INC (KR) | 2008-08-13 | — | — | EP | disclosed |
| US-20070260013-A1 | Thermoplastic resin composition with low coefficient of linear thermal expansion | CHEIL INDUSTRIES INC (KR) | 2007-11-08 | — | — | US | disclosed |
| EP-1828306-A1 | ABS RESIN COMPOSITION WITH LOW COEFFICIENT OF LINEAR THERMAL EXPANSION | Cheil Industries Inc. (KR) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006059814-A1 | ABS RESIN COMPOSITION WITH LOW COEFFICIENT OF LINEAR THERMAL EXPANSION | CHEIL INDUSTRIES INC. (KR) | 2006-06-08 | — | — | WO | disclosed |