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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Tributylmethylammonium SCHEMBL4020290 | 0.87 | BCHE (0.31) | BBOX1 | |
| SCHEMBL27081613 | 0.85 | SHBG (0.35) | — | |
| SCHEMBL1030997 | 0.85 | SHBG (0.35) | — | |
| SCHEMBL4441583 | 0.83 | BBOX1 (0.43) | BBOX1 | |
| Iodide SCHEMBL28273116 | 0.83 | SHBG (0.33) | — | |
| Water SCHEMBL3186855 | 0.83 | SHBG (0.33) | — | |
| SCHEMBL27081692 | 0.82 | SHBG (0.31) | — | |
| SCHEMBL331093 | 0.82 | CA12 (0.33) | CA12CA7CA9CA14 | |
| SCHEMBL1028451 | 0.80 | BBOX1 (0.41) | BBOX1 | |
| Fluoride SCHEMBL29057134 | 0.79 | BBOX1 (0.40) | BBOX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1442001-B1 | METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS AND HYDROCARBON MIXTURES | MERCK PATENT GMBH (DE) | 2008-08-13 | — | — | EP | disclosed |
| EP-1442001-A2 | METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS AND HYDROCARBON MIXTURES | Solvent Innovation GmbH (DE) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037835-A2 | METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS WITH IONIC LIQUIDS | SOLVENT INNOVATION GMBH (DE) | 2003-05-08 | — | — | WO | disclosed |