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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.34 |
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8735819 | 0.87 | ALDH1A1 (0.91) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Bicarbonate SCHEMBL28148367 | 0.82 | ALDH1A1 (0.91) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL24056 | 0.82 | — | — | |
| SCHEMBL8518918 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL15419481 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10LMNACHRM5 | |
| Acetic Acid SCHEMBL1904829 | 0.81 | ALDH1A1 (0.79) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL23495553 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL2702056 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL11421454 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Methyl Alcohol SCHEMBL3844218 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRTHRBHSD17B10LMNA |
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-5910420-A | MICROBIAL ANALYSIS | ORION-YHTYMA OY ORION DIAGNOSTICA (FI) | 1999-06-08 | — | — | US | disclosed |
| EP-0879295-A1 | METHOD AND TEST KIT FOR PRETREATMENT OF OBJECT SURFACES | Orionyhtymä Oy Orion Diagnostica (FI) | 1998-11-25 | — | — | EP | disclosed |
| WO-1998007883-A1 | METHOD AND TEST KIT FOR PRETREATMENT OF OBJECT SURFACES | ORION-YHTYMÄ OY ORION DIAGNOSTICA (FI) | 1998-02-26 | — | — | WO | disclosed |