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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 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 SCHEMBL10449180 | 0.90 | TLR4 (0.42) | TLR4ALDH1A1KMT2AMAPTLMNA | |
| Acetic Acid SCHEMBL10449181 | 0.90 | TLR4 (0.42) | TLR4ALDH1A1KMT2AMAPTLMNA | |
| Acetic Acid SCHEMBL10451298 | 0.89 | TLR4 (0.41) | TLR4ALDH1A1KMT2ALMNACYP2C9 | |
| Acetic Acid SCHEMBL10451296 | 0.89 | TLR4 (0.41) | TLR4ALDH1A1KMT2ALMNACYP2C9 | |
| Acetic Acid SCHEMBL10451224 | 0.87 | TLR4 (0.40) | TLR4ALDH1A1KMT2ALMNA | |
| Acetic Acid SCHEMBL10451222 | 0.87 | TLR4 (0.40) | TLR4ALDH1A1KMT2ALMNA | |
| Acetic Acid SCHEMBL10449446 | 0.86 | TLR4 (0.39) | TLR4ALDH1A1LMNA | |
| Acetic Acid SCHEMBL10449447 | 0.86 | TLR4 (0.39) | TLR4ALDH1A1LMNA | |
| SCHEMBL10449354 | 0.82 | TLR4 (0.44) | TLR4ALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL10449351 | 0.82 | TLR4 (0.44) | TLR4ALDH1A1KMT2AMAPTLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4943384-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-07-24 | — | — | US | disclosed |
| EP-0216880-A1 | CYCLOHEXANE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1987-04-08 | — | — | EP | disclosed |
| WO-1986005484-A1 | CYCLOHEXANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1986-09-25 | — | — | WO | disclosed |