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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR4 known ✓ | P31391 | 3/20 | 0.36 |
| ▸ | SSTR1 known ✓ | P30872 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 13/20 | 0.49 |
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5585849 | 0.95 | HTR2C (0.51) | HTR2CHTR2AKCNH2HTR2BCYP1A2 | |
| SCHEMBL5585664 | 0.95 | HTR2C (0.51) | HTR2CHTR2AKCNH2HTR2BCYP1A2 | |
| SCHEMBL5585663 | 0.95 | HTR2C (0.51) | HTR2CHTR2AKCNH2HTR2BCYP1A2 | |
| Acetic Acid SCHEMBL27512931 | 0.81 | HTR2C (0.48) | HTR2CHTR2AKCNH2HTR2BCYP1A2 | |
| Acetic Acid SCHEMBL27541266 | 0.81 | HTR2C (0.48) | HTR2CHTR2AKCNH2HTR2BCYP1A2 | |
| Acetic Acid SCHEMBL6184911 | 0.80 | PRKCQ (0.42) | HTR2CHDAC1 | |
| SCHEMBL5585610 | 0.78 | ADRB2 (0.53) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL6183329 | 0.77 | HTR2C (0.44) | HTR2CHTR2AKCNH2HTR2BCYP3A4 | |
| SCHEMBL5585237 | 0.76 | HTR2C (0.50) | HTR2CHTR2AKCNH2HTR2BCYP1A2 | |
| SCHEMBL5585267 | 0.76 | HTR2C (0.50) | HTR2CHTR2AKCNH2HTR2BCYP1A2 |
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 |