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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.45 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.45 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28331497 | 0.92 | CYP19A1 (0.58) | CYP19A1ALDH1A1TSHRIDO1DRD2 | |
| SCHEMBL17283072 | 0.82 | CYP19A1 (0.70) | CYP19A1ALDH1A1TSHRIDO1HPGD | |
| SCHEMBL25525157 | 0.80 | AR (0.51) | CYP19A1ALDH1A1IDO1POLBMEN1 | |
| SCHEMBL17359178 | 0.79 | HPGD (0.50) | CYP19A1TSHRIDO1HPGDPOLB | |
| SCHEMBL15937046 | 0.77 | POLB (0.55) | CYP19A1TSHRIDO1HPGDPOLB | |
| SCHEMBL17286360 | 0.77 | CYP19A1 (0.66) | CYP19A1ALDH1A1TSHRIDO1HPGD | |
| SCHEMBL15495598 | 0.75 | GAA (0.52) | CYP19A1ALDH1A1TSHRHPGDKMT2A | |
| SCHEMBL2898117 | 0.74 | IDO1 (0.65) | CYP19A1ALDH1A1TSHRIDO1POLB | |
| SCHEMBL435010 | 0.74 | KDM4E (0.54) | ALDH1A1TSHRIDO1HPGDPOLB | |
| SCHEMBL24570424 | 0.74 | POLB (0.54) | CYP19A1ALDH1A1TSHRIDO1HPGD |
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-110498773-B | Method for synthesizing 1, 4-substituted 1,2, 3-triazole from acetylenic acid | 乐山师范学院 | 2021-07-02 | — | — | CN | disclosed |
| CN-110526875-A | A kind of acetylenic acid multicomponent synthesis 1,4- replaces the method for 1,2,3- triazole | UNIV LESHAN NORMAL | 2019-12-03 | — | — | CN | disclosed |
| CN-110498773-A | A kind of acetylenic acid synthesis 1,4- replaces the method for 1,2,3- triazole | UNIV LESHAN NORMAL | 2019-11-26 | — | — | CN | disclosed |
| CN-106866557-B | (Z)-β-alkenyl bromine multicomponent prepares the method and application of 1,4- substitution -1,2,3- triazole | 乐山师范学院 | 2019-11-12 | — | — | CN | disclosed |