Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL6493919 | 0.77 | PARP1 (0.42) | PARP1 | |
| SCHEMBL30613493 | 0.77 | PARP1 (0.42) | PARP1 | |
| SCHEMBL8786610 | 0.74 | BRD4 (0.31) | — | |
| SCHEMBL6584161 | 0.70 | CA12 (0.35) | PARP1 | |
| SCHEMBL10693713 | 0.67 | MAP3K14 (0.39) | PARP1 | |
| SCHEMBL3599578 | 0.63 | PARP1 (0.60) | PARP1 | |
| SCHEMBL3639240 | 0.63 | PARP1 (0.60) | PARP1 | |
| SCHEMBL3647576 | 0.63 | PARP1 (0.60) | PARP1 | |
| SCHEMBL10692671 | 0.62 | PARP1 (0.32) | PARP1 | |
| SCHEMBL791712 | 0.60 | — | — |
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-2010025871-A1 | 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |