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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | CCR1 | P32246 | 2/20 | 0.51 |
| ▸ | CCR8 | P51685 | 2/20 | 0.51 |
| ▸ | PLK4 | O00444 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | ROS1 | P08922 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
| ▸ | AXL | P30530 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | FRK | P42685 | 1/20 | 0.48 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.48 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.48 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29089092 | 0.94 | PARP1 (0.60) | PARP1KDM4ECCR1CCR8PLK4 | |
| SCHEMBL11907463 | 0.84 | CCR1 (0.57) | PARP1KDM4ECCR1CCR8L3MBTL1 | |
| SCHEMBL679992 | 0.83 | KDM4E (0.60) | KDM4ECCR1CCR8L3MBTL1ALDH1A1 | |
| SCHEMBL13286913 | 0.78 | CCR1 (0.53) | KDM4ECCR1CCR8L3MBTL1ALDH1A1 | |
| SCHEMBL9295752 | 0.77 | PARP1 (0.63) | PARP1KDM4ECCR1CCR8PLK4 | |
| SCHEMBL27558406 | 0.76 | L3MBTL1 (0.50) | PARP1KDM4ECCR1CCR8L3MBTL1 | |
| SCHEMBL27767795 | 0.75 | KDM4E (0.64) | PARP1KDM4EL3MBTL1KDM6BKDM6A | |
| Phenanthroline SCHEMBL4881417 | 0.75 | LMNA (0.70) | PARP1KDM4ECCR1CCR8L3MBTL1 | |
| Phenanthroline SCHEMBL22401704 | 0.75 | LMNA (0.70) | PARP1KDM4ECCR1CCR8L3MBTL1 | |
| SCHEMBL16581146 | 0.75 | L3MBTL1 (0.49) | PARP1KDM4ECCR1CCR8PLK4 |
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-20100029911-A1 | Method For Solid-Phase Peptide Synthesis And Purification | APLAGEN GMBH (DE) | 2010-02-04 | — | — | US | disclosed |
| EP-1831241-A2 | METHOD FOR SOLID-PHASE PEPTIDE SYNTHESIS AND PURIFICATION | AplaGen GmbH (DE) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006056443-A2 | METHOD FOR SOLID-PHASE PEPTIDE SYNTHESIS AND PURIFICATION | APLAGEN GMBH (DE) | 2006-06-01 | — | — | 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-20100029911-A1 | Method For Solid-Phase Peptide Synthesis And Purification | VIP, DNPEP, RPS27A | PARP1 3612/4885KDM4E 4329/4885CCR1 2431/4885 |
“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.