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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | BUB1 | O43683 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22720838 | 0.95 | NR1H2 (0.41) | SMN1; SMN2NR1H2ESR2KDM4EMAPT | |
| SCHEMBL1239873 | 0.84 | NR1H2 (0.39) | SMN1; SMN2NR1H2ESR2KDM4EMAPT | |
| SCHEMBL2600437 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2NR1H2ESR2KDM4EMAPT | |
| SCHEMBL28688256 | 0.78 | ESR2 (0.41) | SMN1; SMN2NR1H2ESR2KDM4EMAPT | |
| SCHEMBL28831819 | 0.77 | ESR2 (0.40) | SMN1; SMN2NR1H2ESR2KDM4EMAPT | |
| SCHEMBL17868342 | 0.76 | ESR2 (0.36) | SMN1; SMN2NR1H2ESR2KDM4EMAPT | |
| SCHEMBL14855016 | 0.76 | ESR2 (0.36) | SMN1; SMN2NR1H2ESR2KDM4EMAPT | |
| SCHEMBL29100851 | 0.72 | ESR2 (0.36) | NR1H2ESR2KDM4EMAPTTHRB | |
| SCHEMBL29016271 | 0.71 | DDB1 (0.38) | SMN1; SMN2NR1H2ESR2KDM4EMAPT | |
| SCHEMBL3110330 | 0.71 | MAPT (0.36) | SMN1; SMN2NR1H2ESR2KDM4EMAPT |
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-107922347-A | New imide derivative and its purposes as medicine | 田边三菱制药株式会社 | 2018-04-17 | — | — | CN | disclosed |