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 | 7/20 | 0.38 |
| ▸ | CHRNA3 known ✓ | P32297 | 5/20 | 0.37 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 9/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 SCHEMBL29079443 | 0.96 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRNB4CHRNA3KCNH2 | |
| SCHEMBL4329499 | 0.77 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| Acetic Acid SCHEMBL60591 | 0.76 | HSD17B10 (0.50) | ALDH1A1TSHR | |
| SCHEMBL7758258 | 0.74 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNB4CHRNA3ACHE | |
| SCHEMBL2024055 | 0.73 | ALDH1A1 (0.31) | ALDH1A1 | |
| Ether SCHEMBL11164028 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| Ether SCHEMBL8442040 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL10490555 | 0.71 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| Ether SCHEMBL20338904 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| Ether SCHEMBL7115101 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-116640040-A | Method for continuously recovering, rectifying and separating toluene-ethanol from ionic liquid extractant | 沈阳化工大学 | 2023-08-25 | — | — | CN | claimed |
| CN-116640040-A | Method for continuously recovering, rectifying and separating toluene-ethanol from ionic liquid extractant | 沈阳化工大学 | 2023-08-25 | — | — | CN | disclosed |