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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MPI | P34949 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2823070 | 0.92 | KDM4E (0.64) | KMT2AKDM4EALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL22499335 | 0.78 | KDM4E (0.57) | KMT2AKDM4ESMN1; SMN2MAPTHPGD | |
| Benzo[D]Isoxazole SCHEMBL7155431 | 0.76 | KDM4E (0.47) | KMT2AKDM4EALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL3958034 | 0.76 | KDM4E (0.55) | KMT2AKDM4EALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL24691325 | 0.76 | KDM4E (0.56) | KMT2AKDM4ESMN1; SMN2MAPTHPGD | |
| Hydrochloric Acid SCHEMBL22499322 | 0.76 | KDM4E (0.56) | KMT2AKDM4ESMN1; SMN2MAPTHPGD | |
| Acetic Acid SCHEMBL3963576 | 0.76 | KMT2A (0.57) | KMT2AKDM4EALDH1A1SMN1; SMN2GLA | |
| SCHEMBL29918948 | 0.73 | METTL3 (0.54) | KMT2AKDM4ESMN1; SMN2MAPTHPGD | |
| SCHEMBL823315 | 0.73 | ALDH1A1 (0.56) | KMT2AKDM4EALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL23757742 | 0.73 | DYRK1A (0.46) | KMT2AKDM4EALDH1A1SMN1; SMN2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2079737-A1 | PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS | XENON PHARMACEUTICALS INC. (CA) | 2009-07-22 | — | — | EP | disclosed |
| US-20080194616-A1 | PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS | XENON PHARMACEUTICALS INC. (CA) | 2008-08-14 | — | — | US | disclosed |
| WO-2008097991-A1 | PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS | XENON PHARMACEUTICALS INC. (CA) | 2008-08-14 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080194616-A1 | PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS | SCN1A, SCN3A, SCN1B | KMT2A 3431/4885KDM4E 3846/4885ALDH1A1 1009/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.