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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.90 |
| ▸ | CA4 | P22748 | 4/20 | 0.61 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9524565 | 0.95 | CA1 (0.82) | CA1CA4FAHD1LMNAFFAR3 | |
| Acetic Acid SCHEMBL153505 | 0.95 | CA1 (1.00) | CA1CA4FAHD1LMNAFFAR3 | |
| Acetic Acid SCHEMBL2343612 | 0.95 | CA1 (1.00) | CA1CA4FAHD1LMNAFFAR3 | |
| Acetic Acid SCHEMBL10529780 | 0.95 | CA1 (1.00) | CA1CA4FAHD1LMNAFFAR3 | |
| Acetic Acid SCHEMBL1332333 | 0.95 | — | — | |
| Acetic Acid SCHEMBL54008 | 0.95 | — | — | |
| Acetic Acid SCHEMBL1331799 | 0.95 | — | — | |
| Acetic Acid SCHEMBL1332530 | 0.95 | — | — | |
| Acetic Acid SCHEMBL1964006 | 0.95 | CA1 (1.00) | CA1CA4FAHD1LMNAFFAR3 | |
| Acetic Acid SCHEMBL2289 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050130844-A1 | Metal oxide semiconductor thin film and method of producing the same | NATIONAL INST. OF ADVANCED IND. SCIENCE AND TECH. (JP) | 2005-06-16 | — | — | US | claimed |
| US-20030122122-A1 | Metal oxide semiconductor thin film and method of producing the same | NATIONAL INST. OF ADVANCED IND. SCIENCE AND TECH (JP) | 2003-07-03 | — | — | US | claimed |
| EP-1324398-A2 | Metal oxide semiconductor thin film and method of producing the same | National Institute of Advanced Industrial Science and Technology (JP) | 2003-07-02 | — | — | EP | claimed |
| CN-106831371-A | Novel method for preparing benzaldehyde through catalytic oxidation | 南京工业大学 | 2017-06-13 | — | — | CN | disclosed |
| US-20050130844-A1 | Metal oxide semiconductor thin film and method of producing the same | NATIONAL INST. OF ADVANCED IND. SCIENCE AND TECH. (JP) | 2005-06-16 | — | — | US | disclosed |
| US-20030122122-A1 | Metal oxide semiconductor thin film and method of producing the same | NATIONAL INST. OF ADVANCED IND. SCIENCE AND TECH (JP) | 2003-07-03 | — | — | US | disclosed |
| EP-1324398-A2 | Metal oxide semiconductor thin film and method of producing the same | National Institute of Advanced Industrial Science and Technology (JP) | 2003-07-02 | — | — | EP | disclosed |
| EP-0682650-A1 | PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1995-11-22 | — | — | EP | disclosed |
| US-5344993-A | Catalytic hydroformylation of epoxides with di-tert-phosphines | SHELL OIL COMPANY (US) | 1994-09-06 | — | — | US | disclosed |
| WO-1994018149-A1 | PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1994-08-18 | — | — | WO | disclosed |