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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.46 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 SCHEMBL1767861 | 1.00 | CPB2 (0.53) | CPB2CA2GRIK1GRIK2GPR84 | |
| Acetic Acid SCHEMBL690750 | 1.00 | CPB2 (0.53) | CPB2CA2GRIK1GRIK2GPR84 | |
| Acetic Acid SCHEMBL8675920 | 1.00 | CPB2 (0.53) | CPB2CA2GRIK1GRIK2GPR84 | |
| Acetic Acid SCHEMBL324428 | 1.00 | CPB2 (0.53) | CPB2CA2GRIK1GRIK2GPR84 | |
| Acetic Acid SCHEMBL615639 | 1.00 | CPB2 (0.53) | CPB2CA2GRIK1GRIK2GPR84 | |
| Acetic Acid SCHEMBL1929473 | 1.00 | CPB2 (0.53) | CPB2CA2GRIK1GRIK2GPR84 | |
| Acetic Acid SCHEMBL3260062 | 1.00 | CPB2 (0.53) | CPB2CA2GRIK1GRIK2GPR84 | |
| SCHEMBL25341592 | 0.94 | CPB2 (0.58) | CPB2CA2GRIK1GRIK2GPR84 | |
| SCHEMBL571313 | 0.94 | CPB2 (0.58) | CPB2CA2GRIK1GRIK2GPR84 | |
| SCHEMBL19148651 | 0.94 | CPB2 (0.58) | CPB2CA2GRIK1GRIK2GPR84 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045836-B1 | PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS | BOEHRINGER INGELHEIM PHARMA (US) | 2008-03-05 | — | — | EP | disclosed |
| EP-1171113-B1 | COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS | BOEHRINGER INGELHEIM PHARMA (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1171113-A1 | COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6284768-B1 | Src family SH2 domain inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2001-09-04 | — | — | US | disclosed |
| US-6268365-B1 | Src family SH2 domain inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2001-07-31 | — | — | US | disclosed |
| US-6156784-A | Compounds useful as phosphotyrosine mimics | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-12-05 | — | — | US | disclosed |
| WO-2000062770-A1 | COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-10-26 | — | — | WO | disclosed |
| EP-1045836-A1 | PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| US-6054470-A | Src family SH2 domain inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-04-25 | — | — | US | disclosed |
| WO-1999031066-A1 | PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1999-06-24 | — | — | WO | disclosed |