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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10664497 | 0.90 | EPHX1 (0.41) | EPHX1TRPM8TRPA1TLR4L3MBTL1 | |
| Acetic Acid SCHEMBL1287799 | 0.90 | — | — | |
| Acetic Acid SCHEMBL2803174 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNEPHX1POLB | |
| Acetic Acid SCHEMBL8007075 | 0.86 | FFAR3 (0.37) | FFAR3LCKFYNEPHX1TLR4 | |
| SCHEMBL9502832 | 0.80 | — | — | |
| Bicarbonate SCHEMBL4051237 | 0.79 | — | — | |
| SCHEMBL23874523 | 0.79 | — | — | |
| SCHEMBL19720168 | 0.79 | — | — | |
| SCHEMBL446773 | 0.79 | — | — | |
| SCHEMBL597545 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |