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 2)
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 SCHEMBL524721 | 1.00 | CYSLTR2 (0.58) | CYSLTR2CYSLTR1 | |
| SCHEMBL3234021 | 0.97 | CYSLTR2 (0.57) | CYSLTR2CYSLTR1 | |
| SCHEMBL5694750 | 0.97 | CYSLTR2 (0.57) | CYSLTR2CYSLTR1 | |
| SCHEMBL524722 | 0.92 | CYSLTR2 (0.52) | CYSLTR2CYSLTR1 | |
| SCHEMBL20490657 | 0.92 | CYSLTR2 (0.52) | CYSLTR2CYSLTR1 | |
| SCHEMBL5521192 | 0.92 | CYSLTR2 (0.52) | CYSLTR2CYSLTR1 | |
| SCHEMBL589317 | 0.85 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1 | |
| SCHEMBL209124 | 0.85 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1 | |
| SCHEMBL5971548 | 0.85 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1 | |
| SCHEMBL227362 | 0.85 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10738030-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-08-11 | — | — | US | disclosed |
| US-20190055220-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2019-02-21 | — | — | US | disclosed |
| EP-3131582-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2017-02-22 | — | — | EP | disclosed |
| WO-2015160787-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-10-22 | — | — | WO | disclosed |
| EP-2838895-A1 | AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013156608-A1 | AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-10-24 | — | — | WO | disclosed |
| US-20070175469-A1 | DISPENSING DEVICE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH, (DE) | 2007-08-02 | — | — | 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 (2 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-10738030-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | CFTR, SCNN1B, SCNN1G | CYSLTR2 122/4885CYSLTR1 79/4885 |
| US-20190055220-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, SCNN1B, SCNN1G | CYSLTR2 122/4885CYSLTR1 79/4885 |
“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.