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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | ACE | P12821 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | APAF1 | O14727 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.60 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.60 |
| ▸ | ITGAL | P20701 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ECE1 | P42892 | 3/20 | 0.57 |
| ▸ | FPR2 | P25090 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | MMP2 | P08253 | 1/20 | 0.57 |
| ▸ | MMP9 | P14780 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MPO | P05164 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3451206 | 0.96 | ALOX15 (0.67) | ALOX15ACEKDM4EMAPTAPAF1 | |
| SCHEMBL3451205 | 0.96 | ALOX15 (0.67) | ALOX15ACEKDM4EMAPTAPAF1 | |
| SCHEMBL17641895 | 0.88 | ALOX15 (0.60) | ALOX15ACEKDM4EMAPTAPAF1 | |
| SCHEMBL12313626 | 0.88 | ALOX15 (0.60) | ALOX15ACEKDM4EMAPTAPAF1 | |
| SCHEMBL29171716 | 0.86 | ALOX15 (0.68) | ALOX15ACEKDM4EMAPTAPAF1 | |
| SCHEMBL3851355 | 0.86 | MEN1 (0.66) | ALOX15ACEKDM4EMAPTAPAF1 | |
| SCHEMBL30523242 | 0.86 | ALOX15 (0.54) | ALOX15ACEKDM4EMAPTAPAF1 | |
| Hydrochloric Acid SCHEMBL28340665 | 0.85 | BCHE (0.63) | ALOX15ACEKDM4EMAPTAPAF1 | |
| Hydrochloric Acid SCHEMBL27762051 | 0.85 | KMT2A (0.64) | ALOX15MAPTSMN1; SMN2KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL1711058 | 0.85 | KMT2A (0.64) | ALOX15MAPTSMN1; SMN2KMT2AMEN1 |
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 |