Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 15/20 | 0.48 |
| ▸ | CA2 | P00918 | 15/20 | 0.48 |
| ▸ | CA12 | O43570 | 11/20 | 0.48 |
| ▸ | CA9 | Q16790 | 9/20 | 0.48 |
| ▸ | CA4 | P22748 | 9/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
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 SCHEMBL1872849 | 0.89 | OPRM1 (0.53) | OPRM1OPRD1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL1876945 | 0.88 | ALDH1A1 (0.49) | OPRM1OPRD1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL1878025 | 0.88 | L3MBTL1 (0.46) | POLBOPRM1OPRD1OPRK1 | |
| SCHEMBL12633992 | 0.85 | CA1 (0.57) | CA1CA2CA12CA9CA4 | |
| Trifluoroacetic Acid SCHEMBL1874705 | 0.85 | CACNA1B (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL1876324 | 0.84 | OPRM1 (0.41) | OPRM1OPRD1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL1879968 | 0.83 | OPRM1 (0.45) | OPRM1OPRD1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL1879542 | 0.83 | LTA4H (0.45) | OPRM1OPRD1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL1877797 | 0.83 | OPRM1 (0.46) | OPRM1OPRD1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL1877050 | 0.83 | HDAC1 (0.46) | OPRM1OPRD1OPRK1 |
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 |