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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.53 |
| ▸ | TACR1 | P25103 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | MPO | P05164 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | APAF1 | O14727 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29400769 | 0.96 | TACR1 (0.71) | TACR1MAPTKDM4ELMNAMEN1 | |
| Hydrochloric Acid SCHEMBL133957 | 0.96 | TACR1 (0.71) | TACR1MAPTKDM4ELMNAMEN1 | |
| Hydrochloric Acid SCHEMBL18185353 | 0.96 | TACR1 (0.71) | TACR1MAPTKDM4ELMNAMEN1 | |
| Hydrochloric Acid SCHEMBL5485888 | 0.96 | TACR1 (0.71) | TACR1MAPTKDM4ELMNAMEN1 | |
| Hydrochloric Acid SCHEMBL133956 | 0.96 | TACR1 (0.71) | TACR1MAPTKDM4ELMNAMEN1 | |
| Hydrochloric Acid SCHEMBL5485884 | 0.96 | TACR1 (0.71) | TACR1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL839065 | 0.95 | TACR1 (0.72) | TACR1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL840121 | 0.95 | TACR1 (0.72) | TACR1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL133958 | 0.95 | TACR1 (0.72) | TACR1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL29632750 | 0.95 | TACR1 (0.72) | TACR1MAPTKDM4ELMNAMEN1 |
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-112341355-B | Chlorogenic acid derivative and preparation method and application thereof | 中国医学科学院药用植物研究所 | 2022-08-30 | — | — | CN | disclosed |
| CN-112341355-A | Chlorogenic acid derivative and preparation method and application thereof | 中国医学科学院药用植物研究所 | 2021-02-09 | — | — | CN | disclosed |