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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 SCHEMBL9493268 | 0.88 | CA2 (0.34) | ALDH1A1CA2CA9 | |
| SCHEMBL28163844 | 0.84 | CA2 (0.32) | CA2CA9 | |
| SCHEMBL9994 | 0.83 | — | — | |
| Alcohol SCHEMBL2048295 | 0.81 | CA2 (0.33) | ALDH1A1CA2CA9 | |
| Chloromethane SCHEMBL28271496 | 0.80 | — | — | |
| SCHEMBL3433794 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27726380 | 0.80 | — | — | |
| SCHEMBL11357464 | 0.80 | — | — | |
| Formaldehyde SCHEMBL8058608 | 0.80 | — | — | |
| Water SCHEMBL28089654 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4080166-A | Emulsifiers for dyeing accelerators based on alkylnaphthalenes | HOECHST AKTIENGESELLSCHAFT (DT) | 1978-03-21 | — | — | US | claimed |
| US-4080166-A | Emulsifiers for dyeing accelerators based on alkylnaphthalenes | HOECHST AKTIENGESELLSCHAFT (DT) | 1978-03-21 | — | — | US | disclosed |