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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.54 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1345355 | 0.97 | MAPT (0.54) | MAPTJAK2JAK1KMT2AMCL1 | |
| SCHEMBL4784285 | 0.91 | TP53 (0.55) | MAPTKMT2AMCL1KDM4EMAPKAPK2 | |
| SCHEMBL1345627 | 0.90 | MAPT (0.57) | MAPTKMT2AMCL1KDM4EMAPKAPK2 | |
| SCHEMBL1345952 | 0.88 | MAPT (0.50) | MAPTJAK2JAK1KMT2AMCL1 | |
| SCHEMBL1345681 | 0.88 | MAPT (0.59) | MAPTKMT2AMCL1KDM4ETP53 | |
| SCHEMBL1345168 | 0.88 | POLB (0.56) | MAPTJAK2JAK1KMT2AKDM4E | |
| SCHEMBL1345311 | 0.88 | PRNP (0.47) | MAPTJAK2JAK1KMT2AKDM4E | |
| SCHEMBL1345602 | 0.87 | MAPKAPK2 (0.48) | MAPTKMT2AMCL1KDM4EMAPKAPK2 | |
| SCHEMBL1345415 | 0.87 | MAPKAPK2 (0.47) | MAPTJAK2JAK1KMT2AKDM4E | |
| SCHEMBL1345870 | 0.87 | RAB9A (0.60) | MAPTKMT2AKDM4ETP53POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-8063094-B2 | Anti-cytokine heterocyclic compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-22 | — | — | US | disclosed |
| US-20110053955-A1 | ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-03 | — | — | US | disclosed |
| WO-2008098096-A1 | ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 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-20110053955-A1 | ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS | MAPKAPK2, IL2, MAP3K2 | MAPT 2259/4885JAK2 127/4885JAK1 273/4885 |
“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.