Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Tributylmethylammonium SCHEMBL557386 | 0.98 | BBOX1 (0.50) | BBOX1CA1CES1CES2SLC22A1 | |
| Tetrabuthylammonium SCHEMBL9790242 | 0.91 | SLC22A1 (0.52) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL5574989 | 0.91 | BBOX1 (0.48) | BBOX1CES1CES2SLC22A1DNM1 | |
| Tributylmethylammonium SCHEMBL4357063 | 0.90 | BBOX1 (0.52) | BBOX1CA1CES1CES2FFAR3 | |
| Acetic Acid SCHEMBL7778449 | 0.89 | DNM1 (0.48) | BBOX1CES1CES2CA2SLC22A1 | |
| Acetic Acid SCHEMBL5574393 | 0.88 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL2204892 | 0.88 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL11125571 | 0.88 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL8378663 | 0.88 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL5573581 | 0.88 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5019634-A | Group transfer living polymer grafted to an initiator support | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-05-28 | — | — | US | disclosed |