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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 10/20 | 0.58 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
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 SCHEMBL9362577 | 1.00 | HTR1A (0.58) | HTR1ADRD2DRD3HTR2AHTR7 | |
| Acetic Acid SCHEMBL9361625 | 0.99 | HTR1A (0.57) | HTR1ADRD2DRD3HTR2AHTR7 | |
| Hydrochloric Acid SCHEMBL9545427 | 0.93 | HTR1A (0.61) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9362201 | 0.93 | HTR1A (0.61) | HTR1ADRD2DRD3HTR2AHTR7 | |
| Hydrochloric Acid SCHEMBL9365612 | 0.92 | HTR1A (0.60) | HTR1ADRD2DRD3HTR2AHTR7 | |
| Hydrochloric Acid SCHEMBL9361660 | 0.90 | HTR1A (0.60) | HTR1ADRD2HTR2AHTR7HTR6 | |
| Acetic Acid SCHEMBL9362634 | 0.85 | HTR1A (0.62) | HTR1ADRD2DRD3HTR7 | |
| Acetic Acid SCHEMBL9361787 | 0.83 | HTR1A (0.61) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9362167 | 0.83 | HTR1A (0.54) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9545540 | 0.83 | MAPK1 (0.66) | HTR1ADRD2DRD3HTR2AHTR7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594813-A1 | NOVEL AMIDOALKYL- AND IMIDOALKYL-PIPERAZINES | Astra Aktiebolag (SE) | 1994-05-04 | — | — | EP | disclosed |
| WO-1993021179-A1 | NOVEL AMIDOALKYL- AND IMIDOALKYL-PIPERAZINES | AKTIEBOLAGET ASTRA (SE) | 1993-10-28 | — | — | WO | disclosed |