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 | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | GLA | P06280 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.58 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MGAM | O43451 | 1/20 | 0.58 |
| ▸ | MMP9 | P14780 | 3/20 | 0.56 |
| ▸ | MMP8 | P22894 | 3/20 | 0.56 |
| ▸ | MMP2 | P08253 | 2/20 | 0.56 |
| ▸ | MMP13 | P45452 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 3/20 | 0.55 |
| ▸ | APP | P05067 | 4/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3007676 | 0.88 | RAB9A (0.69) | MGLLRAB9AKDM4ENPC1MAPT | |
| SCHEMBL23169620 | 0.81 | RAB9A (0.64) | RAB9AKDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL505728 | 0.80 | KDM4E (0.69) | RAB9AKDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL25012059 | 0.79 | APP (0.66) | MGLLRAB9AKDM4ENPC1MAPT | |
| SCHEMBL366824 | 0.79 | RAB9A (0.81) | RAB9AKDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL29474819 | 0.79 | RAB9A (0.81) | RAB9AKDM4ENPC1MAPTSMN1; SMN2 | |
| 2-Phenylbenzo[D]Thiazole SCHEMBL27624697 | 0.78 | KDM4E (0.65) | MGLLRAB9AKDM4ENPC1MAPT | |
| 2-Phenylbenzo[D]Thiazole SCHEMBL7090672 | 0.78 | KDM4E (0.65) | MGLLRAB9AKDM4ENPC1MAPT | |
| SCHEMBL754574 | 0.78 | RAB9A (0.73) | RAB9AKDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL9725326 | 0.78 | MMP9 (0.68) | MGLLRAB9AKDM4ENPC1MAPT |
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-103705496-B | Positively charged water-soluble prodrugs of aryl and heteroaryl propionic acids with fast skin penetration rate | 于崇曦 | 2017-03-01 | — | — | CN | claimed |