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 | 5/20 | 0.56 |
| ▸ | CHRNA3 known ✓ | P32297 | 5/20 | 0.56 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.56 |
| ▸ | CHRNA2 | Q15822 | 3/20 | 0.56 |
| ▸ | CHRNG | P07510 | 2/20 | 0.56 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.56 |
| ▸ | CHRND | Q07001 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
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 SCHEMBL27199916 | 1.00 | CHRNB4 (0.56) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| SCHEMBL159159 | 0.91 | CHRNB4 (0.64) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| SCHEMBL30866535 | 0.91 | CHRNB4 (0.64) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| SCHEMBL31019621 | 0.91 | CHRNB4 (0.64) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| SCHEMBL159158 | 0.91 | CHRNB4 (0.64) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| Lactic Acid SCHEMBL31344162 | 0.90 | BLM (0.57) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| Cadaverine Tartrate SCHEMBL30866584 | 0.90 | BLM (0.67) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| L-Lactic Acid SCHEMBL27199878 | 0.90 | BLM (0.57) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| Lactic Acid SCHEMBL27199874 | 0.90 | BLM (0.57) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 | |
| Levulinic Acid SCHEMBL31344221 | 0.89 | CHRNB4 (0.48) | CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4 |
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-118984653-A | Vaporizable alkaloid compositions and methods of use thereof | 瑞迪美天然有限公司 | 2024-11-19 | — | — | CN | disclosed |