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 | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.38 |
| ▸ | LPL | P06858 | 2/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 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 | |
|---|---|---|---|---|
| SCHEMBL1328329 | 0.90 | LPL (0.45) | ROCK1AAK1LIPGLPLCA1 | |
| SCHEMBL253525 | 0.79 | LPL (0.45) | ROCK1AAK1LIPGLPLCA1 | |
| SCHEMBL29556201 | 0.79 | LPL (0.45) | ROCK1AAK1LIPGLPLCA1 | |
| SCHEMBL6481483 | 0.77 | ROCK1 (0.46) | ROCK1AAK1LIPGLPLCA1 | |
| SCHEMBL28929431 | 0.76 | ROCK1 (0.45) | ROCK1AAK1LIPGLPLCA1 | |
| SCHEMBL30110754 | 0.75 | LPL (0.43) | ROCK1AAK1LIPGLPLCA1 | |
| Acetic Acid SCHEMBL20530340 | 0.75 | ROCK1 (0.42) | ROCK1AAK1LIPGLPLCA1 | |
| SCHEMBL794033 | 0.74 | ROCK1 (0.48) | ROCK1LIPGLPLCA1CA2 | |
| SCHEMBL14552656 | 0.74 | LPL (0.40) | AAK1LIPGLPLCA1CA2 | |
| SCHEMBL142144 | 0.74 | LPL (0.49) | ROCK1LIPGLPLCA1CA2 |
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-2705029-B1 | NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES | RHIZEN PHARMACEUTICALS S A (CH) | 2018-10-24 | — | — | EP | disclosed |
| US-9775841-B2 | Compounds as modulators of protein kinases | RHIZEN PHARMACEUTICALS SA (CH) | 2017-10-03 | — | — | US | disclosed |
| US-20120289496-A1 | NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES | RHIZEN PHARMACEUTICALS SA (CH) | 2012-11-15 | — | — | US | 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-20120289496-A1 | NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES | PRKCA, PRKCH, PRKCB | ROCK1 418/4885AAK1 243/4885LIPG 616/4885 |
“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.