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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 SCHEMBL1287799 | 0.96 | — | — | |
| Methylcyclopentane SCHEMBL4362497 | 0.87 | EPHX1 (0.44) | FFAR3LCKFYNEPHX1ALDH1A1 | |
| Methylcyclopentane SCHEMBL4087874 | 0.87 | EPHX1 (0.44) | FFAR3LCKFYNEPHX1ALDH1A1 | |
| Acetic Acid SCHEMBL4098254 | 0.87 | FFAR3 (0.44) | FFAR3LCKFYNEPHX1ALDH1A1 | |
| Bicarbonate SCHEMBL4051237 | 0.85 | — | — | |
| Acetic Acid SCHEMBL4087167 | 0.84 | EPHX1 (0.48) | FFAR3LCKFYNEPHX1ALDH1A1 | |
| Acetic Acid SCHEMBL938460 | 0.84 | EPHX1 (0.48) | FFAR3LCKFYNEPHX1ALDH1A1 | |
| Acetic Acid SCHEMBL4093239 | 0.84 | EPHX1 (0.48) | FFAR3LCKFYNEPHX1ALDH1A1 | |
| Acetic Acid SCHEMBL11612673 | 0.80 | GABRA5 (0.50) | FFAR3LCKFYNEPHX1ALOX15 | |
| SCHEMBL9502832 | 0.79 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2221320-B1 | SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF POLYMERIZING OLEFIN | MITSUI CHEMICALS INC (JP) | 2017-06-21 | — | — | EP | disclosed |
| US-8822366-B2 | Solid titanium catalyst component, catalyst for olefin polymerization and process for polymerizing olefin | MITSUI CHEMICALS, INC. (JP) | 2014-09-02 | — | — | US | disclosed |
| US-8742040-B2 | Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization process | MITSUI CHEMICALS, INC. (JP) | 2014-06-03 | — | — | US | disclosed |
| EP-2048166-B1 | SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION | MITSUI CHEMICALS INC (JP) | 2014-02-26 | — | — | EP | disclosed |
| EP-2206731-B1 | SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD | MITSUI CHEMICALS INC (JP) | 2013-08-28 | — | — | EP | disclosed |
| US-20100305285-A1 | SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION PROCESS | MITSUI CHEMICALS, INC. | 2010-12-02 | — | — | US | disclosed |
| US-20100227991-A1 | SOLID TITANIUM CATALYST COMPONENT, CATALIST FOR OLEFIN POLYMERIZATION AND PROCESS FOR POLYMERIZING OLEFIN | MITSUI CHEMICALS, INC. (JP) | 2010-09-09 | — | — | US | disclosed |
| EP-2221320-A1 | SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF POLYMERIZING OLEFIN | Mitsui Chemicals, Inc. (JP) | 2010-08-25 | — | — | EP | disclosed |
| EP-2206731-A1 | SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD | Mitsui Chemicals, Inc. (JP) | 2010-07-14 | — | — | EP | disclosed |
| US-20090203855-A1 | Solid titanium catalyst ingredient, catalyst for olefin polymerization, and method of olefin polymerization | MITSUI CHEMICALS, INC. | 2009-08-13 | — | — | US | disclosed |
| EP-2048166-A1 | SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION | Mitsui Chemicals, Inc. (JP) | 2009-04-15 | — | — | EP | disclosed |