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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| E968 SCHEMBL2057352 | 0.89 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| Propylene Glycol SCHEMBL16044401 | 0.87 | TSHR (0.64) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL16046756 | 0.85 | TSHR (0.73) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL2057318 | 0.84 | CYP2C19 (0.44) | TSHRSMN1; SMN2CYP2D6ALDH1A1NT5E | |
| SCHEMBL16046203 | 0.83 | TSHR (0.64) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| Isopropyl Alcohol SCHEMBL5735328 | 0.82 | TSHR (0.76) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL16045501 | 0.81 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| Glycerin SCHEMBL2057406 | 0.81 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| Glycerin SCHEMBL28513363 | 0.81 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| Glycerin SCHEMBL28224084 | 0.81 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 |
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 |