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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EED | O75530 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CTSC | P53634 | 8/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL22639110 | 1.00 | EED (0.44) | EEDSMN1; SMN2CTSCEPHX2PRMT5 | |
| SCHEMBL29577658 | 0.97 | EED (0.44) | EEDSMN1; SMN2CTSCEPHX2PRMT5 | |
| SCHEMBL27572870 | 0.97 | EED (0.44) | EEDSMN1; SMN2CTSCEPHX2PRMT5 | |
| SCHEMBL27572862 | 0.97 | EED (0.44) | EEDSMN1; SMN2CTSCEPHX2PRMT5 | |
| Arginine SCHEMBL30096925 | 0.80 | DDAH1 (0.37) | EEDCTSCPRMT5WDR77 | |
| SCHEMBL29421098 | 0.78 | MEN1 (0.44) | SMN1; SMN2CTSCEPHX2 | |
| SCHEMBL10650846 | 0.78 | MEN1 (0.44) | SMN1; SMN2CTSCEPHX2 | |
| SCHEMBL30310981 | 0.78 | EED (0.46) | EEDCTSCEPHX2FOLH1NAALAD2 | |
| SCHEMBL29576554 | 0.78 | EED (0.47) | EEDCTSCPRMT5WDR77 | |
| SCHEMBL6561158 | 0.78 | GRIN1 (0.44) | SMN1; SMN2EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020226151-A1 | ANTITUSSIVE FOR PERTUSSIS AND METHOD FOR SCREENING ANTITUSSIVE FOR PERTUSSIS | 国立大学法人大阪大学 | 2020-11-12 | — | — | WO | disclosed |