Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29195216 | 0.91 | GAA (0.50) | GAALMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL4463639 | 0.82 | GAA (0.56) | GAALMNACYP3A4CA1CA2 | |
| Tetramethylammonium Ion SCHEMBL216795 | 0.82 | GAA (0.56) | GAALMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL19812378 | 0.81 | LMNA (0.43) | GAALMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL11656541 | 0.78 | CA1 (0.54) | GAALMNACYP3A4CYP2D6MAPK1 | |
| Methyl Alcohol SCHEMBL28016005 | 0.78 | GAA (0.56) | GAALMNACYP3A4CA1CA2 | |
| Methyl Alcohol SCHEMBL21523587 | 0.78 | GAA (0.56) | GAALMNACYP3A4CA1CA2 | |
| Methyl Alcohol SCHEMBL3617702 | 0.78 | GAA (0.56) | GAALMNACYP3A4CA1CA2 | |
| SCHEMBL25311672 | 0.77 | CYP3A4 (0.46) | GAALMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL22615914 | 0.77 | GAA (0.62) | GAALMNACYP3A4CYP2D6CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8362095-B2 | Defoaming of ionic liquids | EVONIK GOLDSCHMIDT GMBH (DE) | 2013-01-29 | — | — | US | disclosed |
| US-20100084597-A1 | DEFOAMING OF IONIC LIQUIDS | EVONIK DEGUSSA GMBH (DE) | 2010-04-08 | — | — | US | disclosed |
| US-20100029519-A1 | PERFORMANCE ADDITIVES FOR IMPROVING THE WETTING PROPERTIES OF IONIC LIQUIDS ON SOLID SURFACES | EVONIK DEGUSSA GMBH (DE) | 2010-02-04 | — | — | US | disclosed |