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 | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2928571 | 0.96 | BTK (0.53) | BTKHPGDMAPTALDH1A1HTT | |
| SCHEMBL2928618 | 0.87 | KDM4E (0.52) | BTKALDH1A1SMN1; SMN2POLBRIPK1 | |
| SCHEMBL2930665 | 0.83 | LRRK2 (0.53) | JAK2LRRK2 | |
| Acetic Acid SCHEMBL2933253 | 0.82 | BRAF (0.47) | BRAFRIPK1FLT3PIK3CAMAPK10 | |
| SCHEMBL2927882 | 0.82 | RIPK1 (0.55) | HPGDSMN1; SMN2POLBRIPK1JAK2 | |
| Hydrochloric Acid SCHEMBL2935656 | 0.82 | RIPK1 (0.54) | HPGDSMN1; SMN2POLBRIPK1JAK2 | |
| SCHEMBL2929169 | 0.81 | ATR (0.47) | PIK3CAMTOR | |
| SCHEMBL2930294 | 0.81 | ATR (0.47) | PIK3CAMTOR | |
| Trifluoroacetic Acid SCHEMBL2934334 | 0.81 | LRRK2 (0.51) | JAK2LRRK2 | |
| SCHEMBL2928943 | 0.79 | RIPK1 (0.46) | BTKHPGDSMN1; SMN2POLBRIPK1 |
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-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 |