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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | PAM | P19021 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | TOP2A | P11388 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15976519 | 0.95 | DGKA (0.42) | DGKAALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL15976528 | 0.84 | DGKA (0.53) | DGKAALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL9569406 | 0.83 | DGKA (0.61) | DGKAALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL27779307 | 0.83 | PRSS1 (0.49) | DGKAALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL15976529 | 0.81 | DGKA (0.65) | DGKAALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL11854167 | 0.81 | ADRA2A (0.35) | DGKAPRSS1PRSS2PRSS3ADRA2A | |
| SCHEMBL575912 | 0.80 | DGKA (0.42) | DGKAALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL28699927 | 0.80 | DGKA (0.41) | DGKAALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL2728485 | 0.80 | NAAA (0.45) | DGKAALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL28337908 | 0.79 | DGKA (0.56) | DGKAALDH1A1PRSS1PRSS2PRSS3 |
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-1503717-A1 | GLASS-IONOMER CEMENTS CONTAINING AMINO ACIDS | The UAB Research Foundation (US) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003061606-A1 | GLASS-IONOMER CEMENTS CONTAINING AMINO ACIDS | UAB RESEARCH FOUNDATION (US) | 2003-07-31 | — | — | WO | disclosed |