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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | KIF11 | P52732 | 3/20 | 0.53 |
| ▸ | ENPP3 | O14638 | 6/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 5/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL408478 | 0.91 | CA1 (0.68) | CA1CA2CA9KIF11ENPP3 | |
| SCHEMBL31306825 | 0.89 | CA1 (0.66) | CA1CA2CA9KIF11ENPP3 | |
| SCHEMBL26549580 | 0.85 | KIF11 (0.71) | CA1CA2CA9KIF11 | |
| Trifluoromethanesulfonic Acid SCHEMBL9380893 | 0.84 | CA1 (0.59) | CA1CA2CA9KIF11ENPP3 | |
| Potassium Ion SCHEMBL27749549 | 0.83 | CA1 (0.47) | CA1CA2CA9CXCR2CXCR1 | |
| SCHEMBL28831379 | 0.82 | CA1 (0.58) | CA1CA2CA9KIF11ENPP3 | |
| SCHEMBL576035 | 0.80 | CA2 (0.50) | CA1CA2CA9KIF11CXCR2 | |
| SCHEMBL27930245 | 0.79 | CA1 (0.47) | CA1CA2CA9CXCR2CXCR1 | |
| Lithium Ion SCHEMBL27932110 | 0.79 | CA1 (0.47) | CA1CA2CA9CXCR2CXCR1 | |
| SCHEMBL28390592 | 0.78 | CA2 (0.73) | CA1CA2CA9KIF11ENPP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106255689-B | Heteroaryl SYK Inhibitors | 勃林格殷格翰国际有限公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-110183440-A | Heteroaryl SYK inhibitor | 勃林格殷格翰国际有限公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-106255689-A | Heteroaryl syk inhibitors | 勃林格殷格翰国际有限公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-104781213-A | Pressure process | WZR ceramic solutions GmbH | 2015-07-15 | — | — | CN | disclosed |