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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 17/20 | 0.44 |
| ▸ | HTR2A | P28223 | 11/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 8/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KHK | P50053 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5585597 | 0.94 | HTR2C (0.46) | HTR2CHTR2AKCNH2HTR2BCYP3A4 | |
| SCHEMBL5585599 | 0.94 | HTR2C (0.46) | HTR2CHTR2AKCNH2HTR2BCYP3A4 | |
| Acetic Acid SCHEMBL6187574 | 0.85 | HTR2C (0.49) | HTR2CHTR2AKCNH2HTR2BCYP3A4 | |
| Acetic Acid SCHEMBL6185550 | 0.83 | ADRB2 (0.51) | HTR2CHTR2ACYP3A4ADRB2 | |
| Acetic Acid SCHEMBL6183906 | 0.79 | PRKCQ (0.41) | HTR2CADRB2KHK | |
| SCHEMBL5585867 | 0.78 | HTR2C (0.51) | HTR2CHTR2AKCNH2HTR2BADRB2 | |
| SCHEMBL5585870 | 0.78 | HTR2C (0.51) | HTR2CHTR2AKCNH2HTR2BADRB2 | |
| SCHEMBL5586006 | 0.78 | HTR2C (0.51) | HTR2CHTR2AKCNH2HTR2BADRB2 | |
| Acetic Acid SCHEMBL6184549 | 0.77 | HTR2C (0.49) | HTR2CHTR2AKCNH2HTR2BCYP3A4 | |
| SCHEMBL5585796 | 0.76 | ADRB2 (0.58) | HTR2CHTR2ACYP3A4ADRB2 |
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-1506185-A1 | NOVEL COMPOUNDS AND THEIR USE | Biovitrum AB (SE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097636-A1 | NOVEL COMPOUNDS AND THEIR USE | BIOVITRUM AB (SE) | 2003-11-27 | — | — | WO | disclosed |