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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.30 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.34 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.33 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
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 SCHEMBL28060470 | 1.00 | SLC6A1 (0.34) | SLC6A1SLC6A11SLC6A13TSHRLMNA | |
| Acetic Acid SCHEMBL28598584 | 0.98 | SLC6A1 (0.35) | SLC6A1SLC6A11SLC6A13TSHRLMNA | |
| Acetic Acid SCHEMBL27717590 | 0.95 | SLC6A1 (0.34) | SLC6A1SLC6A11SLC6A13TSHRLMNA | |
| Bicarbonate SCHEMBL16669009 | 0.91 | SLC6A1 (0.37) | SLC6A1SLC6A11SLC6A13TSHRLMNA | |
| Oxalic Acid SCHEMBL9319555 | 0.88 | SLC6A1 (0.35) | SLC6A1SLC6A11SLC6A13TSHRLMNA | |
| Hydrochloric Acid SCHEMBL5087479 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL483495 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL5804908 | 0.85 | — | — | |
| Methacrylic Acid SCHEMBL27811194 | 0.85 | SLC6A1 (0.31) | SLC6A1SLC6A11SLC6A13TSHRLMNA | |
| Acetic Acid SCHEMBL27717589 | 0.84 | CA1 (0.35) | — |
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-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |