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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.48 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.48 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
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 SCHEMBL29251724 | 1.00 | HRH3 (0.58) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL29252311 | 0.98 | HRH3 (0.54) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL29252482 | 0.98 | HRH3 (0.54) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL26112632 | 0.98 | CYP1A2 (0.57) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL31035698 | 0.98 | HRH3 (0.54) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL30330693 | 0.98 | HRH3 (0.54) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL29252573 | 0.98 | HRH3 (0.54) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL16701179 | 0.98 | HRH3 (0.54) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL29252789 | 0.98 | HRH3 (0.54) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL15820572 | 0.96 | CYP1A2 (0.53) | HRH3KDM4ECYP1A2MAPK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023046704-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-30 | — | — | WO | disclosed |