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 | 7/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.65 |
| ▸ | MAPT | P10636 | 6/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.61 |
| ▸ | FNTA | P49354 | 1/20 | 0.61 |
| ▸ | FNTB | P49356 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | BLM | P54132 | 2/20 | 0.56 |
| ▸ | APAF1 | O14727 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29376364 | 0.94 | MAPT (0.68) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL40822 | 0.94 | MAPT (0.68) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL3262116 | 0.94 | MAPT (0.68) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30295582 | 0.92 | MAPT (0.66) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4598405 | 0.92 | MAPT (0.66) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5656023 | 0.87 | MAPT (0.60) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| Tryptamine SCHEMBL28351329 | 0.85 | CYP1A2 (0.73) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL4856078 | 0.84 | MEN1 (0.60) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| Indole-3-Acetic Acid SCHEMBL2269865 | 0.84 | MAPT (0.69) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| Acetic Acid SCHEMBL8374511 | 0.83 | KMT2A (0.63) | MEN1KMT2AMAPTKDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103772259-A | Positively charged aryl and heteroaryl acetic acid prodrugs with fast skin penetration rates | YU CHONGXI | 2014-05-07 | — | — | CN | disclosed |
| CN-103772258-A | Positively charged aryl and heteroaryl acetic acid prodrugs with fast skin penetration rates | YU CHONGXI | 2014-05-07 | — | — | CN | disclosed |
| CN-101506160-A | Positively charged aryl and heteroaryl acetic acid prodrugs with fast skin penetration rates | CHONGXI YU (US) | 2009-08-12 | — | — | CN | disclosed |