Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 6/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | MCHR2 | Q969V1 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
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 SCHEMBL1875279 | 0.91 | APAF1 (0.43) | KMT2AMCHR1SCN9ARAF1 | |
| Trifluoroacetic Acid SCHEMBL1873956 | 0.86 | HRH3 (0.48) | — | |
| SCHEMBL12633976 | 0.83 | KMT2A (0.47) | KMT2AMCHR1DPP7CACNA1BCACNA1H | |
| Trifluoroacetic Acid SCHEMBL3829844 | 0.83 | HDAC6 (0.40) | CACNA1BRAF1 | |
| Trifluoroacetic Acid SCHEMBL1872879 | 0.83 | HDAC6 (0.40) | CACNA1BRAF1 | |
| Trifluoroacetic Acid SCHEMBL1872849 | 0.83 | OPRM1 (0.53) | KMT2AOPRM1 | |
| Trifluoroacetic Acid SCHEMBL1875536 | 0.82 | HTT (0.41) | CACNA1BCACNA1HOPRM1 | |
| Trifluoroacetic Acid SCHEMBL1875954 | 0.81 | CACNA1B (0.42) | CACNA1BCACNA1H | |
| Trifluoroacetic Acid SCHEMBL1876945 | 0.81 | ALDH1A1 (0.49) | KMT2ACACNA1BOPRM1 | |
| Trifluoroacetic Acid SCHEMBL1878025 | 0.81 | L3MBTL1 (0.46) | OPRM1 |
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 |