Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Potassium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.36 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL1409893 | 1.00 | CPA1 (0.50) | CPA1CA2CACNA2D1CACNB3CACNA1C | |
| SCHEMBL1410256 | 0.96 | CPA1 (0.50) | CPA1CA2CACNA2D1CACNB3CACNA1C | |
| SCHEMBL1410051 | 0.96 | CPA1 (0.50) | CPA1CA2CACNA2D1CACNB3CACNA1C | |
| Potassium Ion SCHEMBL1410071 | 0.85 | CPA1 (0.55) | CPA1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL12017246 | 0.83 | CPA1 (0.52) | CPA1CA2CACNA2D1CACNB3CACNA1C | |
| SCHEMBL15290363 | 0.83 | CPA1 (0.52) | CPA1CA2CACNA2D1CACNB3CACNA1C | |
| SCHEMBL15290364 | 0.83 | CPA1 (0.52) | CPA1CA2CACNA2D1CACNB3CACNA1C | |
| SCHEMBL1117046 | 0.83 | CPA1 (0.56) | CPA1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL1410060 | 0.83 | CPA1 (0.56) | CPA1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL1410324 | 0.83 | CPA1 (0.56) | CPA1CACNA2D1CACNB3CACNA1CPGR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016173960-A1 | OPTIMIZED SYNTHESIS OF PREGABALIN AND 4-AMINOBUTANE ACID USING AN IMPROVED METHOD FOR PRODUCING CONJUGATED NITROALKENES | K.H.S. PHARMA HOLDING GMBH (DE) | 2016-11-03 | — | — | WO | disclosed |
| EP-3088383-A1 | OPTIMIZED SYNTHESIS OF PREGABALIN AND 4-AMINO BUTANOIC ACID USING AN IMPROVED PRODUCTION METHOD OF CONJUGATED NITROALKENES | K.H.S. Pharma Holding GmbH (DE) | 2016-11-02 | — | — | EP | disclosed |
| US-8546112-B2 | Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester | SANDOZ AG (CH) | 2013-10-01 | — | — | US | disclosed |
| EP-2294207-B1 | Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester | SANDOZ AG (CH) | 2012-09-26 | — | — | EP | disclosed |
| US-20110165636-A1 | PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER | SANDOZ AG (CH) | 2011-07-07 | — | — | US | disclosed |
| EP-2294207-A2 | PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER | Sandoz AG (CH) | 2011-03-16 | — | — | EP | disclosed |
| WO-2009141362-A2 | PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER | SANDOZ AG (CH) | 2009-11-26 | — | — | WO | disclosed |