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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GALR3 | O60755 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | CPT1A | P50416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28323258 | 0.92 | MAPT (0.52) | MAPTTSHRCHRM2CHRM4CHRM1 | |
| Bicarbonate SCHEMBL8320369 | 0.87 | SLC22A16 (0.54) | MAPTTSHRCHRM2CHRM4CHRM1 | |
| Acetic Acid SCHEMBL5670671 | 0.87 | SLC22A16 (0.54) | MAPTTSHRCHRM2CHRM4CHRM1 | |
| Methacrylic Acid SCHEMBL27466382 | 0.86 | MAPT (0.43) | MAPTTSHRCHRM2CHRM4CHRM1 | |
| SCHEMBL193840 | 0.86 | — | — | |
| SCHEMBL9748138 | 0.86 | — | — | |
| SCHEMBL9748670 | 0.86 | — | — | |
| Acetic Acid SCHEMBL31405638 | 0.85 | SLC22A16 (0.52) | MAPTTSHRCHRM2CHRM4CHRM1 | |
| Acetic Acid SCHEMBL11505402 | 0.85 | SLC22A16 (0.52) | MAPTTSHRCHRM2CHRM4CHRM1 | |
| Acetic Acid SCHEMBL11505398 | 0.85 | SLC22A16 (0.52) | MAPTTSHRCHRM2CHRM4CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922564-A | Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups | 赢创德固赛有限公司 | 2018-04-17 | — | — | CN | claimed |