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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 3/20 | 0.43 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.42 |
| ▸ | ALB | P02768 | 2/20 | 0.40 |
| ▸ | ICMT | O60725 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11315452 | 1.00 | KDM5A (0.43) | KDM5APHF8KDM4CDNM1SPHK1 | |
| SCHEMBL11321528 | 0.92 | MEN1 (0.42) | KDM5APHF8KDM4CDNM1SPHK1 | |
| SCHEMBL11313633 | 0.92 | MEN1 (0.42) | KDM5APHF8KDM4CDNM1SPHK1 | |
| Hydrochloric Acid SCHEMBL5533556 | 0.90 | SPHK1 (0.43) | KDM5APHF8KDM4CDNM1SPHK1 | |
| Sulfuric Acid SCHEMBL11320954 | 0.88 | ALOX15 (0.47) | DNM1SPHK1EPHX1ALBNAAA | |
| Sulfuric Acid SCHEMBL11317132 | 0.88 | ALOX15 (0.47) | DNM1SPHK1EPHX1ALBNAAA | |
| Acetic Acid SCHEMBL2905199 | 0.87 | EPHX1 (0.55) | SPHK1EPHX1NAAACASP2 | |
| Acetic Acid SCHEMBL3289314 | 0.87 | EPHX1 (0.55) | SPHK1EPHX1NAAACASP2 | |
| Dodine SCHEMBL22124 | 0.87 | EPHX1 (0.55) | SPHK1EPHX1NAAACASP2 | |
| Dodine SCHEMBL9766434 | 0.87 | EPHX1 (0.55) | SPHK1EPHX1NAAACASP2 |
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-4271190-A | Guanidinium salts, processes for their manufacture as well as microbicidal preparations containing these compounds | TH. GOLDSCHMIDT AG (DE) | 1981-06-02 | — | — | US | claimed |