Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 8/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18838483 | 1.00 | CTSK (0.43) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL23931093 | 0.87 | CTSK (0.41) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL23931095 | 0.87 | CTSK (0.41) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL4442580 | 0.85 | CTSK (0.39) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL18838439 | 0.84 | CTSK (0.38) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL18838482 | 0.84 | CTSK (0.38) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL18321912 | 0.83 | BTK (0.37) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL22798665 | 0.83 | BTK (0.37) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL12492955 | 0.82 | CTSK (0.39) | CTSKCA1CA2HSD11B1CYP2C9 | |
| SCHEMBL29068480 | 0.81 | CTSK (0.39) | CTSKCA1CA2HSD11B1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3340988-A1 | ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES | Afasci, Inc. (US) | 2018-07-04 | — | — | EP | disclosed |
| WO-2017083867-A1 | ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES | AFASCI, INC. (US) | 2017-05-18 | — | — | WO | disclosed |