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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.38 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.38 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL7872948 | 0.89 | CA2 (0.47) | CA1CA2MAPK1NFKB1CYP3A4 | |
| Acetic Acid SCHEMBL10943012 | 0.81 | CA1 (0.52) | CA1CA2MAPK1NFKB1CES1 | |
| SCHEMBL7865515 | 0.80 | DNM1 (0.41) | CA1CA2MAPK1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL7865432 | 0.80 | DNM1 (0.41) | CA2MAPK1CYP3A4TSHR | |
| Water SCHEMBL4821456 | 0.80 | DNM1 (0.41) | CA1CA2MAPK1CYP3A4TSHR | |
| Fluoride Ion SCHEMBL7872902 | 0.80 | DNM1 (0.41) | CA1CA2MAPK1CYP3A4TSHR | |
| Acetic Acid SCHEMBL329012 | 0.78 | DNM1 (0.55) | CA1CA2MAPK1NFKB1CES1 | |
| Acetic Acid SCHEMBL123876 | 0.78 | DNM1 (0.55) | CA1CA2MAPK1NFKB1CES1 | |
| Acetic Acid SCHEMBL7563930 | 0.76 | DNM1 (0.52) | CA1CA2MAPK1NFKB1CES1 | |
| Acetic Acid SCHEMBL9623426 | 0.76 | CA2 (0.50) | CA1CA2MAPK1NFKB1CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |