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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL6297796 | 0.88 | TSHR (0.43) | ALDH1A1ATMCES1CA1CES2 | |
| SCHEMBL13721721 | 0.85 | ALDH1A1 (0.39) | ALDH1A1ATMCES1CA1CES2 | |
| SCHEMBL21543978 | 0.83 | CA1 (0.39) | ALDH1A1ATMCES1CA1CES2 | |
| SCHEMBL31340078 | 0.83 | ADRB2 (0.45) | ALDH1A1ATMCA1TSHRHPGD | |
| SCHEMBL21544058 | 0.82 | ALDH1A1 (0.37) | ALDH1A1ATMCES1CA1TSHR | |
| SCHEMBL7106452 | 0.81 | CA1 (0.36) | ALDH1A1ATMCES1CA1CES2 | |
| Iodide SCHEMBL9486141 | 0.80 | ADRB2 (0.43) | ALDH1A1ATMCA1TSHRHPGD | |
| SCHEMBL7110004 | 0.79 | CA1 (0.39) | ALDH1A1ATMCES1CA1CES2 | |
| Acetic Acid SCHEMBL1262288 | 0.76 | TSHR (0.54) | ALDH1A1ATMCES1CA1CES2 | |
| Stearic Acid SCHEMBL31279709 | 0.75 | FABP3 (0.56) | CES1CA1CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014117225-A1 | METAL ORGANIC FRAMEWORKS | FALCARO PAOLO (AU) | 2014-08-07 | — | — | WO | disclosed |
| US-6797206-B1 | Process of producing a microporous hydrophobic inorganic membrane | STICHTING ENERGIEONDERZOEK CENTRUM NEDERLAND (NL) | 2004-09-28 | — | — | US | disclosed |
| EP-1089806-B1 | PROCESS OF PRODUCING A MICROPOROUS HYDROPHOBIC INORGANIC MEMBRANE | STICHTING ENERGIEONDERZOEKCENT (NL) | 2004-06-16 | — | — | EP | disclosed |
| EP-1089806-A1 | PROCESS OF PRODUCING A MICROPOROUS HYDROPHOBIC INORGANIC MEMBRANE | Stichting Energieonderzoek Centrum Nederland(ECN) (NL) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999061140-A1 | PROCESS OF PRODUCING A MICROPOROUS HYDROPHOBIC INORGANIC MEMBRANE | STICHTING ENERGIEONDERZOEK CENTRUM NEDERLAND (NL) | 1999-12-02 | — | — | WO | disclosed |