Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 4/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1875942 | 0.89 | OPRM1 (0.39) | CACNA1BSLC2A1SMO | |
| Trifluoroacetic Acid SCHEMBL1879953 | 0.89 | OPRM1 (0.39) | CACNA1BSLC2A1SMO | |
| Trifluoroacetic Acid SCHEMBL1874603 | 0.88 | SLC2A1 (0.42) | CACNA1BCACNA1HSLC2A1SMO | |
| Trifluoroacetic Acid SCHEMBL1874447 | 0.88 | SMO (0.41) | SLC2A1HSD11B1SMO | |
| Trifluoroacetic Acid SCHEMBL1875501 | 0.88 | CACNA1B (0.37) | CACNA1BCACNA1HSLC2A1SMO | |
| Trifluoroacetic Acid SCHEMBL1872975 | 0.85 | QPCT (0.38) | CACNA1BSLC2A1SMO | |
| SCHEMBL12634080 | 0.85 | HSD11B1 (0.39) | CACNA1BHSD11B1SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL1876885 | 0.81 | HDAC1 (0.39) | CACNA1BCACNA1HSLC2A1SCN9A | |
| Trifluoroacetic Acid SCHEMBL1879960 | 0.81 | HDAC1 (0.39) | CACNA1BCACNA1HSLC2A1SCN9A | |
| Trifluoroacetic Acid SCHEMBL1877154 | 0.80 | DRD2 (0.43) | SLC2A1SMO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7939528-B2 | Heterocycle compounds | GLAXOSMITHKLINE LLC (US) | 2011-05-10 | — | — | US | disclosed |