Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 SCHEMBL28160629 | 0.93 | CA1 (0.61) | CA1CA4FAHD1LMNAMEN1 | |
| Acetic Acid SCHEMBL28142748 | 0.90 | CA1 (0.64) | CA1CA4FAHD1LMNAMEN1 | |
| Acetic Acid SCHEMBL14940696 | 0.86 | CA1 (0.61) | CA1CA4FAHD1LMNABLM | |
| Acetic Acid SCHEMBL1953948 | 0.82 | — | — | |
| Bicarbonate SCHEMBL28272483 | 0.79 | CA4 (0.50) | CA1CA4FAHD1LMNAMEN1 | |
| Bicarbonate SCHEMBL7227703 | 0.79 | CA4 (0.44) | CA1CA4FAHD1MEN1LDHA | |
| Bicarbonate SCHEMBL6170007 | 0.79 | CA4 (0.44) | CA1CA4FAHD1MEN1LDHA | |
| Acetic Acid SCHEMBL27998753 | 0.78 | — | — | |
| Acetic Acid SCHEMBL31520009 | 0.78 | — | — | |
| Acetic Acid SCHEMBL9116209 | 0.78 | CA1 (0.89) | CA1CA4FAHD1LMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1678116-A1 | PREPARATION OF TETRAKIS [3-(E,5-DI-TERT-BUTYL-4-HYDROXY PHENYL) PROPIONYL OXYMETHYL] METHANE | Great Lakes Chemical (Europe) GmbH (CH) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042463-A1 | PREPARATION OF TETRAKIS [3-(E,5-DI-TERT-BUTYL-4-HYDROXY PHENYL) PROPIONYL OXYMETHYL] METHANE | GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) | 2005-05-12 | — | — | WO | disclosed |