Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BTN3A1 | O00481 | 13/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.35 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | OGG1 | O15527 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18476530 | 0.92 | ITGA4 (0.38) | HTTBTN3A1ALDH1A1 | |
| SCHEMBL14934182 | 0.92 | ITGA4 (0.38) | HTTBTN3A1ALDH1A1 | |
| SCHEMBL14934170 | 0.92 | ITGA4 (0.38) | HTTBTN3A1ALDH1A1 | |
| SCHEMBL16128886 | 0.89 | MEN1 (0.43) | HTTBTN3A1CARM1PRMT6KDM4E | |
| SCHEMBL15203122 | 0.83 | BTN3A1 (0.40) | HTTBTN3A1CARM1PRMT6KDM4E | |
| SCHEMBL30583779 | 0.81 | MEN1 (0.42) | BTN3A1KDM4EALDH1A1 | |
| SCHEMBL16258631 | 0.81 | MEN1 (0.42) | BTN3A1KDM4EALDH1A1 | |
| SCHEMBL16258629 | 0.81 | MEN1 (0.42) | BTN3A1KDM4EALDH1A1 | |
| SCHEMBL13469494 | 0.81 | HTT (0.39) | HTTBTN3A1CARM1PRMT6KDM4E | |
| SCHEMBL30472855 | 0.81 | HTT (0.39) | HTTBTN3A1CARM1PRMT6KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013066991-A1 | CRYSTALLINE SOLVATES OF NUCLEOSIDE PHOSPHOROAMIDATES, THEIR STEREOSELECTIVE PREPARATION, NOVEL INTERMEDIATES THEREOF, AND THEIR USE IN THE TREATMENT OF VIRAL DISEASE | INHIBITEX, INC. (US) | 2013-05-10 | — | — | WO | disclosed |