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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL5163591 | 0.91 | ARG2 (0.35) | ARG1ARG2TSHRALDH1A1 | |
| SCHEMBL5164573 | 0.84 | KDM4C (0.33) | FFAR3ARG1ARG2ALDH1A1 | |
| Acetic Acid SCHEMBL8693561 | 0.82 | — | — | |
| SCHEMBL692369 | 0.81 | CYP4F2 (0.41) | FFAR3ARG1ARG2TSHRALDH1A1 | |
| SCHEMBL8571461 | 0.81 | CYP4F2 (0.41) | FFAR3ARG1ARG2TSHRALDH1A1 | |
| SCHEMBL11415097 | 0.80 | ALDH1A1 (0.38) | TSHRALDH1A1 | |
| SCHEMBL3080191 | 0.80 | ARG1 (0.33) | ARG1ARG2 | |
| SCHEMBL2354062 | 0.79 | CAMK2A (0.42) | FFAR3ARG1ARG2TSHRALDH1A1 | |
| SCHEMBL2123448 | 0.77 | CYP4F2 (0.38) | ALDH1A1 | |
| SCHEMBL11423751 | 0.77 | SMN1; SMN2 (0.44) | ARG2TSHRALDH1A1 |
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-5753652-A | Antiretroviral hydrazine derivatives | NOVARTIS CORPORATION (US) | 1998-05-19 | — | — | US | disclosed |