Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 13/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21319488 | 0.86 | SMPD3 (0.50) | SMPD3PARP1PDE10AJAK2JAK3 | |
| SCHEMBL20119441 | 0.85 | SMPD3 (0.51) | SMPD3PARP1PDE10AJAK2JAK3 | |
| SCHEMBL20119340 | 0.85 | SMPD3 (0.51) | SMPD3PARP1PDE10AJAK2JAK3 | |
| SCHEMBL18817179 | 0.84 | SMPD3 (0.52) | SMPD3PARP1PDE10AJAK2JAK3 | |
| SCHEMBL20119112 | 0.83 | SMPD3 (0.47) | SMPD3PARP1PDE10A | |
| SCHEMBL20119365 | 0.80 | SMPD3 (0.41) | SMPD3PARP1 | |
| SCHEMBL20119100 | 0.80 | NPC1 (0.49) | SMPD3PARP1PDE10AJAK2JAK3 | |
| SCHEMBL20119368 | 0.77 | SMPD3 (0.43) | SMPD3PARP1JAK2NTRK1 | |
| SCHEMBL23865451 | 0.77 | SMPD3 (0.48) | SMPD3PARP1PDE10AJAK2JAK3 | |
| SCHEMBL20119135 | 0.76 | SMPD3 (0.56) | SMPD3PARP1PDE10AJAK2JAK3 |
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-2018077246-A1 | AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-05-03 | — | — | WO | disclosed |