Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tetramethylammonium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8860331 | 0.87 | — | — | |
| Acetic Acid SCHEMBL11138131 | 0.87 | — | — | |
| Acetic Acid SCHEMBL8860320 | 0.87 | CA1 (0.57) | CA1CA4 | |
| Acetic Acid SCHEMBL11138126 | 0.87 | CA1 (0.57) | CA1CA4 | |
| Acetic Acid SCHEMBL6852076 | 0.83 | — | — | |
| Acetic Acid SCHEMBL27413211 | 0.83 | CA1 (0.61) | CA1CA4 | |
| Acetic Acid SCHEMBL1680190 | 0.83 | — | — | |
| Acetic Acid SCHEMBL28245878 | 0.83 | CA1 (0.61) | CA1CA4 | |
| Acetic Acid SCHEMBL7699130 | 0.83 | — | — | |
| Tetramethylammonium Ion SCHEMBL106975 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1371627-A1 | Process for the preparation of carboxylic acid benzyl esters | Bayer Aktiengesellschaft (DE) | 2003-12-17 | — | — | EP | claimed |