Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 3/20 | 0.44 |
| ▸ | MMP7 | P09237 | 3/20 | 0.44 |
| ▸ | MMP12 | P39900 | 3/20 | 0.44 |
| ▸ | MMP13 | P45452 | 3/20 | 0.44 |
| ▸ | ACE | P12821 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL2058037 | 0.87 | CA2 (0.40) | SMN1; SMN2TSHRTDP1CYP2D6CNR2 | |
| E968 SCHEMBL2057352 | 0.85 | TSHR (0.67) | SMN1; SMN2TSHRMMP1MMP13TDP1 | |
| SCHEMBL16046245 | 0.84 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL11079765 | 0.84 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL28823866 | 0.82 | ALDH1A1 (0.55) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL16044391 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| Hexane SCHEMBL27501792 | 0.80 | TSHR (0.70) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL2057477 | 0.79 | TSHR (0.57) | SMN1; SMN2TSHRTDP1PSIP1POLB | |
| Butyl Alcohol SCHEMBL28041245 | 0.79 | TSHR (0.61) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL2057703 | 0.78 | LMNA (0.42) | POLBCYP2D6ALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9065146-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2015-06-23 | — | — | US | disclosed |
| US-8551662-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-10-08 | — | — | US | disclosed |
| US-8029935-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-10-04 | — | — | US | disclosed |
| US-20110229771-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-09-22 | — | — | US | disclosed |
| US-7981553-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-07-19 | — | — | US | disclosed |
| US-20110159380-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-06-30 | — | — | US | disclosed |
| US-20100227226-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2010-09-09 | — | — | US | disclosed |
| US-20100021823-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2010-01-28 | — | — | US | disclosed |
| US-7575833-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-08-18 | — | — | US | disclosed |
| US-20070238025-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-10-11 | — | — | US | disclosed |
| US-7223502-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-05-29 | — | — | US | disclosed |
| US-20050118512-A1 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2005-06-02 | — | — | US | disclosed |