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 | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 9/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | QPCT | Q16769 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL29201334 | 0.94 | TBXAS1 (0.51) | TBXAS1CYP11B1CYP11B2ALDH1A1NFKB1 | |
| Acetic Acid SCHEMBL28023953 | 0.93 | TBXAS1 (0.49) | TBXAS1CYP11B1CYP11B2ALDH1A1NFKB1 | |
| SCHEMBL179249 | 0.87 | — | — | |
| SCHEMBL26111774 | 0.84 | NFKB1 (0.48) | TBXAS1CYP11B1CYP11B2NFKB1QPCT | |
| Bromide SCHEMBL28416620 | 0.84 | NFKB1 (0.48) | TBXAS1CYP11B1CYP11B2NFKB1QPCT | |
| Hydrochloric Acid SCHEMBL29201345 | 0.84 | NFKB1 (0.48) | TBXAS1CYP11B1CYP11B2NFKB1QPCT | |
| Iodide SCHEMBL29201349 | 0.84 | NFKB1 (0.48) | TBXAS1CYP11B1CYP11B2NFKB1QPCT | |
| Methane SCHEMBL27732895 | 0.84 | NFKB1 (0.48) | TBXAS1CYP11B1CYP11B2NFKB1QPCT | |
| SCHEMBL1051113 | 0.81 | TBXAS1 (0.51) | TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1 | |
| SCHEMBL12928729 | 0.81 | TBXAS1 (0.51) | TBXAS1CYP11B1CYP11B2ALDH1A1NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999033839-A1 | CEPHEM DERIVATIVES AND A METHOD FOR PRODUCING THE COMPOUNDS AND AN ANTIBACTERIAL COMPOSITION CONTAINING THE COMPOUNDS | CHEIL JEDANG CORPORATION (KR) | 1999-07-08 | — | — | WO | disclosed |