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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.37 |
| ▸ | PRKCQ | Q04759 | 5/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.41 |
| ▸ | PRKCB | P05771 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 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 | |
|---|---|---|---|---|
| SCHEMBL5585680 | 0.94 | HTR2C (0.45) | PRKCQPRKCDPRKCBPRKCAFLT3 | |
| SCHEMBL5585677 | 0.94 | HTR2C (0.45) | PRKCQPRKCDPRKCBPRKCAFLT3 | |
| SCHEMBL5585944 | 0.94 | HTR2C (0.45) | PRKCQPRKCDPRKCBPRKCAFLT3 | |
| Acetic Acid SCHEMBL6185550 | 0.86 | ADRB2 (0.51) | HTR2CHSD11B1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL5585796 | 0.79 | ADRB2 (0.58) | HTR2CKDM4EALDH1A1HSD17B10PMP22 | |
| Acetic Acid SCHEMBL6183329 | 0.79 | HTR2C (0.44) | HTR2CADRB2KHK | |
| SCHEMBL5585951 | 0.77 | HTR6 (0.40) | PRKCQPRKCDPRKCBPRKCAFLT3 | |
| SCHEMBL5585948 | 0.77 | HTR6 (0.40) | PRKCQPRKCDPRKCBPRKCAFLT3 | |
| Acetic Acid SCHEMBL6184911 | 0.77 | PRKCQ (0.42) | PRKCQPRKCDPRKCBPRKCAFLT3 | |
| SCHEMBL5780913 | 0.76 | HTR2C (0.41) | PRKCQPRKCDPRKCBPRKCAFLT3 |
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 |