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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
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 SCHEMBL8750094 | 0.97 | NPC1 (0.46) | NPC1RAB9ALDHAGAAL3MBTL1 | |
| Succinic Acid SCHEMBL7200635 | 0.90 | NPC1 (0.44) | NPC1RAB9ALDHAGAAL3MBTL1 | |
| Acetic Acid SCHEMBL7199841 | 0.90 | CYP1A2 (0.44) | GAAALDH1A1MEN1HTTKMT2A | |
| Acetic Acid SCHEMBL7195788 | 0.88 | RAB9A (0.41) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL8750057 | 0.87 | ACHE (0.46) | GAAALDH1A1MEN1HTTKMT2A | |
| Acetic Acid SCHEMBL7197614 | 0.87 | LDHA (0.51) | NPC1RAB9ALDHAL3MBTL1TP53 | |
| Acetic Acid SCHEMBL7193257 | 0.87 | SNCA (0.41) | NPC1RAB9AL3MBTL1MAPTALDH1A1 | |
| Bromide SCHEMBL7199867 | 0.87 | MAPT (0.47) | NPC1RAB9AGAAL3MBTL1CRHBP | |
| Hydrochloric Acid SCHEMBL7198842 | 0.87 | MAPT (0.47) | NPC1RAB9AGAAL3MBTL1CRHBP | |
| Iodide SCHEMBL7197829 | 0.87 | MAPT (0.47) | NPC1RAB9AGAAL3MBTL1CRHBP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0624173-B2 | PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS | DOW CHEMICAL CO (US) | 2003-04-09 | — | — | EP | disclosed |
| EP-0624173-B1 | PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS | DOW CHEMICAL CO (US) | 1997-04-02 | — | — | EP | disclosed |
| EP-0624173-A1 | PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS. | DOW CHEMICAL CO (US) | 1994-11-17 | — | — | EP | disclosed |
| US-5360886-A | Alklyphenylphosphine or phosphonium catalyst | THE DOW CHEMICAL COMPANY (US) | 1994-11-01 | — | — | US | disclosed |
| US-5310853-A | Epoxy resins | THE DOW CHEMICAL COMPANY (US) | 1994-05-10 | — | — | US | disclosed |
| WO-1993015126-A1 | PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS | THE DOW CHEMICAL COMPANY (US) | 1993-08-05 | — | — | WO | disclosed |
| US-5202407-A | Phosphonium or phosphine catalyst having at least three alkylphenyl groups attached to phosphorus atom | THE DOW CHEMICAL COMPANY (US) | 1993-04-13 | — | — | US | disclosed |