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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
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 SCHEMBL28956807 | 0.88 | CTBP2 (0.52) | MEN1KMT2AALDH1A1CTBP2TSHR | |
| SCHEMBL50385 | 0.85 | — | — | |
| Alcohol SCHEMBL20495951 | 0.83 | IDO1 (0.46) | MEN1KMT2ALMNASMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11767985 | 0.83 | IDO1 (0.50) | MEN1KMT2ALMNATSHRMAOB | |
| SCHEMBL8995754 | 0.83 | IDO1 (0.50) | MEN1KMT2ALMNATSHRCYP2C19 | |
| 1,4-Dichlorobenzene SCHEMBL76049 | 0.83 | ALOX15 (0.60) | MEN1KMT2AHTTLMNASMN1; SMN2 | |
| Acrylic Acid SCHEMBL27529096 | 0.81 | TAAR1 (0.44) | MEN1KMT2AHTTLMNAALDH1A1 | |
| Ethylene SCHEMBL27825941 | 0.80 | IDO1 (0.48) | MEN1KMT2ALMNATSHRCYP2C19 | |
| SCHEMBL7015674 | 0.80 | SRD5A2 (0.59) | LMNAALDH1A1TSHRALOX15L3MBTL1 | |
| SCHEMBL14999728 | 0.79 | ALDH1A1 (0.47) | MEN1KMT2AHTTLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1528726-A | Aromatic side-chain dioxygen selective oxidation method in ion liquid | 华东师范大学 | 2004-09-15 | — | — | CN | disclosed |