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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL36958 | 0.84 | — | — | |
| SCHEMBL16716000 | 0.84 | — | — | |
| SCHEMBL2633048 | 0.84 | — | — | |
| Acetic Acid SCHEMBL852247 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL5674651 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL7566097 | 0.82 | ALDH1A1 (0.53) | ALDH1A1SLC1A2SLC1A1GRIK1GRIK2 | |
| Acetic Acid SCHEMBL5538735 | 0.82 | ALDH1A1 (0.53) | ALDH1A1SLC1A2SLC1A1GRIK1GRIK2 | |
| Acetic Acid SCHEMBL27957524 | 0.82 | ALDH1A1 (0.53) | ALDH1A1SLC1A2SLC1A1GRIK1GRIK2 | |
| Acetic Acid SCHEMBL5231341 | 0.82 | ALDH1A1 (0.53) | ALDH1A1SLC1A2SLC1A1GRIK1GRIK2 | |
| Trifluoroacetic Acid SCHEMBL31581663 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CHRM1AKR1A1CHRM3HTR2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6361940-B1 | IMMOBILIZATION; GENETIC ENGINEERING | QIAGEN GENOMICS, INC. | 2002-03-26 | — | — | US | claimed |
| EP-3665308-A1 | METHODS AND MATERIALS FOR ASSESSING AND TREATING CANCER | The Johns Hopkins University (US) | 2020-06-17 | — | — | EP | disclosed |
| WO-2019067092-A1 | METHODS AND MATERIALS FOR ASSESSING AND TREATING CANCER | THE JOHNS HOPKINS UNIVERSITY (US) | 2019-04-04 | — | — | WO | disclosed |
| US-6361940-B1 | IMMOBILIZATION; GENETIC ENGINEERING | QIAGEN GENOMICS, INC. | 2002-03-26 | — | — | US | disclosed |
| EP-0958378-A2 | COMPOSITIONS AND METHODS FOR ENHANCING HYBRIDIZATION SPECIFICITY | Rapigene, Inc. (US) | 1999-11-24 | — | — | EP | disclosed |
| EP-0952228-A2 | Compositions and methods for enhancing hybridization specificity | Rapigene, Inc. (US) | 1999-10-27 | — | — | EP | disclosed |
| WO-1998013527-A2 | COMPOSITIONS AND METHODS FOR ENHANCING HYBRIDIZATION SPECIFICITY | RAPIGENE, INC. (US) | 1998-04-02 | — | — | WO | disclosed |