Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2952417 | 0.88 | CA2 (0.35) | CA2 | |
| SCHEMBL2950885 | 0.84 | ALDH1A1 (0.36) | ALDH1A1RECQL | |
| SCHEMBL417933 | 0.82 | ALDH1A1 (0.41) | ALDH1A1RECQL | |
| Acetic Acid SCHEMBL2165958 | 0.79 | FFAR3 (0.35) | ALDH1A1 | |
| SCHEMBL2946096 | 0.72 | — | — | |
| SCHEMBL27485460 | 0.71 | CA2 (0.54) | ALDH1A1RECQLCA2 | |
| SCHEMBL8056644 | 0.71 | — | — | |
| SCHEMBL16654116 | 0.71 | — | — | |
| SCHEMBL28291148 | 0.69 | CA2 (0.39) | ALDH1A1CA2 | |
| Propionic Acid SCHEMBL2949967 | 0.69 | FFAR3 (0.50) | ALDH1A1RECQL |
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-8530080-B2 | Nonaqueous electrolyte solution and lithium secondary battery using same | UBE INDUSTRIES, LTD. (JP) | 2013-09-10 | — | — | US | disclosed |
| US-8440349-B2 | Nonaqueous electrolyte solution and lithium secondary battery using same | UBE INDUSTRIES, LTD. (JP) | 2013-05-14 | — | — | US | disclosed |
| EP-1772924-B1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY | UBE INDUSTRIES (JP) | 2013-04-10 | — | — | EP | disclosed |
| US-20130052541-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME | UBE INDUSTRIES, LTD. (JP) | 2013-02-28 | — | — | US | disclosed |
| US-20100239919-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME | UBE INDUSTRIES, LTD. (JP) | 2010-09-23 | — | — | US | disclosed |
| US-7629085-B2 | sulfur-containing acid ester and an alkyne-containing compound; excellent battery characteristics in cycle performance, electric capacity and storage property; e.g. 2-propynyl methyl carbonate and 1,3-propanesultone | UBE INDUSTRIES, LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20070231707-A1 | Nonaqueous Electrolytic Solution and Lithium Secondary Battery | MU IONIC SOLUTIONS CORPORATION (JP) | 2007-10-04 | — | — | US | disclosed |
| EP-1772924-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY | Ube Industries, Ltd. (JP) | 2007-04-11 | — | — | EP | disclosed |