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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.38 |
| ▸ | THRA | P10827 | 3/20 | 0.34 |
| ▸ | THRB | P10828 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 3/20 | 0.32 |
| ▸ | CES1 | P23141 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 SCHEMBL232904 | 1.00 | GPR84 (0.38) | GPR84THRATHRBKCNH2HCAR2 | |
| Acetic Acid SCHEMBL15575254 | 1.00 | GPR84 (0.38) | GPR84THRATHRBKCNH2HCAR2 | |
| Bicarbonate SCHEMBL7004683 | 0.94 | GPR84 (0.38) | GPR84THRATHRBKCNH2HCAR2 | |
| Acetic Acid SCHEMBL232563 | 0.94 | GPR84 (0.33) | GPR84HCAR2 | |
| Acetone SCHEMBL3645466 | 0.92 | GPR84 (0.37) | GPR84THRATHRBKCNH2HCAR2 | |
| SCHEMBL1818170 | 0.89 | KCNH2 (0.40) | GPR84KCNH2MEN1HSP90AA1KMT2A | |
| SCHEMBL4347828 | 0.89 | KCNH2 (0.40) | GPR84KCNH2MEN1HSP90AA1KMT2A | |
| SCHEMBL5300868 | 0.89 | KCNH2 (0.40) | GPR84KCNH2MEN1HSP90AA1KMT2A | |
| SCHEMBL2229126 | 0.89 | KCNH2 (0.40) | GPR84KCNH2MEN1HSP90AA1KMT2A | |
| SCHEMBL3885723 | 0.89 | KCNH2 (0.40) | GPR84KCNH2MEN1HSP90AA1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2486062-A2 | A PROCESS OF MANUFACTURING LOW-FIBRILLATING CELLULOSIC FIBERS | Grasim Industries Limited (IN) | 2012-08-15 | — | — | EP | disclosed |
| EP-2486175-A2 | A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS | Grasim Industries Limited (IN) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011048608-A2 | A PROCESS OF MANUFACTURING LOW-FIBRILLATING CELLULOSIC FIBERS | GRASIM INDUSTRIES LIMITED (IN) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011048609-A2 | A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS | GRASIM INDUSTRIES LIMITED (IN) | 2011-04-28 | — | — | WO | disclosed |