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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
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 SCHEMBL6262297 | 0.87 | SPHK2 (0.62) | SPHK2SPHK1SLC22A6ALOX15ALDH1A1 | |
| Acetic Acid SCHEMBL27585246 | 0.85 | SPHK2 (0.74) | SPHK2SPHK1SLC22A6ALOX15ALDH1A1 | |
| Acetic Acid SCHEMBL20298430 | 0.85 | SPHK2 (0.74) | SPHK2SPHK1SLC22A6ALOX15ALDH1A1 | |
| Acetic Acid SCHEMBL27952396 | 0.85 | SPHK2 (0.74) | SPHK2SPHK1SLC22A6ALOX15ALDH1A1 | |
| Acetic Acid SCHEMBL30442710 | 0.84 | SPHK2 (0.78) | SPHK2SPHK1SLC22A6ALOX15ALDH1A1 | |
| Acetic Acid SCHEMBL21802164 | 0.84 | SPHK2 (0.78) | SPHK2SPHK1SLC22A6ALOX15ALDH1A1 | |
| Acetic Acid SCHEMBL28032978 | 0.84 | SPHK2 (0.78) | SPHK2SPHK1SLC22A6ALOX15ALDH1A1 | |
| SCHEMBL1736025 | 0.83 | — | — | |
| SCHEMBL3058582 | 0.82 | — | — | |
| SCHEMBL5173054 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112203640-B | Compositions and methods for inhibiting pathogen infection | 北卡罗来纳大学教堂山分校 | 2024-04-19 | — | — | CN | disclosed |