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 | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL18318004 | 0.97 | GABBR2 (0.42) | GABBR2GABBR1FFAR3LCKFYN | |
| SCHEMBL191734 | 0.87 | — | — | |
| Benzene SCHEMBL28068173 | 0.84 | GABBR2 (0.46) | GABBR2GABBR1FFAR3HDAC3HDAC1 | |
| Ammonia Solution, Strong SCHEMBL2354177 | 0.83 | — | — | |
| SCHEMBL19809597 | 0.83 | GABBR2 (0.50) | GABBR2GABBR1MMP2KDM4ETHRB | |
| SCHEMBL5687858 | 0.83 | GABBR2 (0.50) | GABBR2GABBR1MMP2KDM4ETHRB | |
| SCHEMBL1317106 | 0.83 | — | — | |
| SCHEMBL190272 | 0.83 | — | — | |
| SCHEMBL191930 | 0.83 | — | — | |
| Ethane SCHEMBL2485400 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109810291-B | Halogen-free solid flame retardant mixture and application thereof | 科莱恩国际有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-109796628-B | Halogen-free solid flame retardant mixture and application thereof | 科莱恩国际有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-105940085-B | Halogen-free solid flame retardant mixture and application thereof | 科莱恩国际有限公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-105940085-A | Halogen-free solid flame retardant mixture and application thereof | 科莱恩国际有限公司 | 2016-09-14 | — | — | CN | disclosed |