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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 6/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 3/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 2/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | GAK | O14976 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2934019 | 0.96 | BRAF (0.47) | BRAFRAF1SYKSIRT2SIRT1 | |
| SCHEMBL2933256 | 0.85 | BRAF (0.57) | BRAFITK | |
| Acetic Acid SCHEMBL2934985 | 0.82 | BTK (0.52) | BRAFPIK3CAMAPK10RIPK1FLT3 | |
| SCHEMBL2932836 | 0.82 | ITK (0.41) | BRAFITKEGFRPIK3CA | |
| SCHEMBL2927043 | 0.78 | HCAR3 (0.48) | BRAFSYKITKESR1 | |
| SCHEMBL2928571 | 0.78 | BTK (0.53) | BRAFJAK3PIK3CARIPK1KIT | |
| SCHEMBL2928708 | 0.78 | BRAF (0.39) | BRAFITK | |
| SCHEMBL2931626 | 0.78 | BRAF (0.39) | BRAFSYKITKIRAK4MAPK8 | |
| SCHEMBL27745009 | 0.76 | BRAF (0.36) | BRAFSYKITK | |
| SCHEMBL27744978 | 0.76 | BRAF (0.36) | BRAFSYKITK |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044051-B1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB PUBL (SE) | 2010-01-27 | — | — | EP | claimed |
| EP-2044051-A1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB (publ) (SE) | 2009-04-08 | — | — | EP | claimed |
| WO-2007147874-A1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB (PUBL) (SE) | 2007-12-27 | — | — | WO | claimed |
| EP-2044051-B1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB PUBL (SE) | 2010-01-27 | — | — | EP | disclosed |
| US-20080039450-A1 | Compounds | BIOVITRUM AB (PUBL.) (SE) | 2008-02-14 | — | — | 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-20080039450-A1 | Compounds | NEK2, CSNK2A3, CSNK2A1 | ESR1 1185/4885BRAF 524/4885RAF1 122/4885 |
“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.