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 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.53 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.50 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.50 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.48 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KDM6B | O15054 | 1/20 | 0.43 |
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 SCHEMBL2124440 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL8806720 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL5379043 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL8526392 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL4359525 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL9008818 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL5379107 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL4069322 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL5395207 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 | |
| Acetic Acid SCHEMBL1685004 | 1.00 | LMNA (0.53) | LMNASLC15A2CAMK2AEGLN1ALKBH5 |
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-3053926-B1 | FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF | SHANGHAI YINGLI PHARM CO LTD (CN) | 2018-08-08 | — | — | EP | disclosed |
| EP-3053926-A1 | FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF | Shanghai Yingli Pharmaceutical Co. Ltd. (CN) | 2016-08-10 | — | — | EP | disclosed |
| US-6242600-B1 | ANTIISCHEMIC AGENTS, ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-05 | — | — | US | disclosed |