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 | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 6/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.49 |
| ▸ | HTR1A | P08908 | 3/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR5A | P47898 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8309915 | 0.91 | HTR6 (0.56) | HTR6ADRB1HTR1AHTR7HTR2A | |
| Acetic Acid SCHEMBL8310158 | 0.81 | ADRB1 (0.54) | HTR6ADRB1HTR1AHTR7HTR2A | |
| Ethane SCHEMBL11509421 | 0.81 | ADRB1 (0.61) | HTR6ADRB1HTR1AHTR7HTR2A | |
| SCHEMBL29446041 | 0.81 | HTR6 (0.62) | HTR6ADRB1HTR1AHTR7HTR2A | |
| SCHEMBL10677139 | 0.81 | HTR6 (0.62) | HTR6ADRB1HTR1AHTR7HTR2A | |
| SCHEMBL232830 | 0.81 | HTR6 (0.62) | HTR6ADRB1HTR1AHTR7HTR2A | |
| Hydrochloric Acid SCHEMBL27845681 | 0.79 | HTR6 (0.61) | HTR6ADRB1HTR1AHTR7HTR2A | |
| Piperazine SCHEMBL28234322 | 0.79 | HTR6 (0.61) | HTR6ADRB1HTR1AHTR7HTR2A | |
| Acetic Acid SCHEMBL28946871 | 0.78 | ADRB1 (0.77) | HTR6ADRB1HTR1AHTR7HTR2A | |
| SCHEMBL11087855 | 0.74 | ADRA2C (0.53) | HTR6HTR1AHTR2ADRD2DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5998414-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0929537-A1 | TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS | HOECHST MARION ROUSSEL, INC. (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998007711-A1 | TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS | HOECHST MARION ROUSSEL, INC. (US) | 1998-02-26 | — | — | WO | disclosed |