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 | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL5719652 | 0.86 | TSHR (0.38) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL13198079 | 0.86 | — | — | |
| SCHEMBL1042 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7323438 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL9221280 | 0.83 | — | — | |
| Water SCHEMBL5484486 | 0.83 | — | — | |
| SCHEMBL28044604 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL3099736 | 0.80 | — | — | |
| Acetic Acid SCHEMBL10325441 | 0.79 | FFAR3 (0.37) | TSHRFFAR3LCKFYN | |
| Acetic Acid SCHEMBL11353075 | 0.78 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114853624-B | Preparation method of 4-amino-1-butanol and N-protected derivative thereof | 青岛贞开生物医药技术有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-114853624-A | Preparation method of 4-amino-1-butanol and N-protected derivative thereof | 青岛贞开生物医药技术有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-111175413-B | Method for detecting content of 4-chlorobutanol acetate in sulfobutyl-beta-cyclodextrin sodium raw material or preparation thereof | 山东滨州智源生物科技有限公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-111175413-A | Method for detecting content of 4-chlorobutanol acetate in sulfobutyl-beta-cyclodextrin sodium raw material or preparation thereof | 山东滨州智源生物科技有限公司 | 2020-05-19 | — | — | CN | disclosed |