Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tributylmethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 5/20 | 0.39 |
| ▸ | CES1 | P23141 | 5/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL7624961 | 0.91 | LSS (0.46) | BBOX1CES2CES1HAO1SLC22A1 | |
| Tributylmethylammonium SCHEMBL1052293 | 0.91 | BBOX1 (0.50) | BBOX1CA1CES2CES1SLC22A1 | |
| Tributylmethylammonium SCHEMBL7580402 | 0.91 | BBOX1 (0.50) | BBOX1CA1CES2CES1SLC22A1 | |
| Tributylmethylammonium SCHEMBL1052294 | 0.88 | ALOX15 (0.44) | BBOX1SLC22A1DNM1AKR1B1ALOX15 | |
| Tributylmethylammonium SCHEMBL4357063 | 0.88 | BBOX1 (0.52) | BBOX1CA1CES2CES1SLC22A1 | |
| Oxalic Acid SCHEMBL1050657 | 0.86 | BBOX1 (0.40) | BBOX1CA1CES2CES1TSHR | |
| Tributylmethylammonium SCHEMBL8995786 | 0.86 | BBOX1 (0.50) | BBOX1CA1CES2CES1SLC22A1 | |
| Tributylmethylammonium SCHEMBL557386 | 0.86 | BBOX1 (0.50) | BBOX1CA1CES2CES1SLC22A1 | |
| Tributylmethylammonium SCHEMBL4357067 | 0.85 | SLC22A1 (0.43) | BBOX1SLC22A1DNM1AKR1B1ALOX15 | |
| Tetrabuthylammonium SCHEMBL106155 | 0.84 | SLC22A1 (0.57) | CES2CES1SLC22A1DNM1AKR1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7867471-B2 | Process for preparing advanced ceramic powders using onium dicarboxylates | SACHEM, INC. (US) | 2011-01-11 | — | — | US | disclosed |
| US-20090250850-A1 | PROCESS FOR PREPARING ADVANCED CERAMIC POWDERS USING ONIUM DICARBOXYLATES | SACHEM, INC. | 2009-10-08 | — | — | US | disclosed |