Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 SCHEMBL1875954 | 0.93 | CACNA1B (0.42) | ALDH1A1CACNA1BLMNA | |
| Trifluoroacetic Acid SCHEMBL1872849 | 0.93 | OPRM1 (0.53) | ALDH1A1OPRM1OPRD1OPRK1LTA4H | |
| Trifluoroacetic Acid SCHEMBL1878025 | 0.91 | L3MBTL1 (0.46) | OPRM1OPRD1OPRK1LTA4HEPHX2 | |
| Trifluoroacetic Acid SCHEMBL1877797 | 0.89 | OPRM1 (0.46) | OPRM1OPRD1OPRK1GRIN2DGRIN3B | |
| Trifluoroacetic Acid SCHEMBL1881002 | 0.88 | CA1 (0.48) | OPRM1OPRD1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL1876324 | 0.87 | OPRM1 (0.41) | OPRM1OPRD1OPRK1LTA4HEPHX2 | |
| Trifluoroacetic Acid SCHEMBL1879968 | 0.86 | OPRM1 (0.45) | ALDH1A1OPRM1OPRD1OPRK1LTA4H | |
| Trifluoroacetic Acid SCHEMBL1874425 | 0.86 | HTR5A (0.43) | ALDH1A1OPRM1OPRD1OPRK1LTA4H | |
| Trifluoroacetic Acid SCHEMBL1879542 | 0.86 | LTA4H (0.45) | ALDH1A1OPRM1OPRD1OPRK1LTA4H | |
| Trifluoroacetic Acid SCHEMBL1877050 | 0.86 | 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 |