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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Choline SCHEMBL506429 | 0.91 | CYP3A4 (0.46) | CYP3A4LMNACYP2D6MAPK1THPO | |
| Choline SCHEMBL28623707 | 0.89 | CYP3A4 (0.46) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL19873257 | 0.88 | DNM1 (0.56) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL9498660 | 0.88 | DNM1 (0.56) | CYP3A4LMNACYP2D6MAPK1THPO | |
| Choline SCHEMBL28992902 | 0.88 | CYP3A4 (0.45) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL11789370 | 0.87 | LMNA (0.46) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL3015875 | 0.86 | ALDH1A1 (0.44) | CYP3A4LMNACYP2D6MAPK1RECQL | |
| SCHEMBL11606936 | 0.86 | LMNA (0.41) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL20604556 | 0.85 | LMNA (0.41) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL10599444 | 0.84 | CYP3A4 (0.43) | CYP3A4LMNACYP2D6MAPK1THPO |
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 8 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 |
| EP-2223904-A2 | Method for producing antistatic artificial stones for area-measured material | Evonik Goldschmidt GmbH (DE) | 2010-09-01 | — | — | EP | disclosed |
| US-20100192814-A1 | PROCESS FOR PRODUCING ANTISTATICALLY TREATED ARTIFICIAL STONE FOR FLAT STRUCTURES | EVONIK GOLDSCHMIDT GMBH (DE) | 2010-08-05 | — | — | 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 |
| EP-2093278-A1 | Performance additive for improving the sprinkling characteristics of ionic fluids on solid surfaces | Evonik Goldschmidt GmbH (DE) | 2009-08-26 | — | — | EP | disclosed |
| EP-2087931-A2 | Defoaming of ionic fluids | Evonik Goldschmidt GmbH (DE) | 2009-08-12 | — | — | EP | disclosed |
| US-3954902-A | QUATERNARY AMMONIUM UNITS, MELT SPINNING | RHONE-POULENC-TEXTILE (FR) | 1976-05-04 | — | — | US | disclosed |