Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.54 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29626876 | 0.84 | BCAT2 (0.44) | PARP1BCAT2CAPN1RPS6KB1JAK2 | |
| SCHEMBL28042579 | 0.83 | PARP1 (0.40) | PARP1SCN9ACAPN1KDM4EALDH1A1 | |
| SCHEMBL28042578 | 0.81 | NPC1 (0.41) | PARP1BCAT2CAPN1TGFBR1KDM4E | |
| SCHEMBL30964842 | 0.75 | BCAT2 (0.53) | PARP1SCN9ABCAT2TGFBR1KDM4E | |
| SCHEMBL1380693 | 0.75 | BCAT2 (0.53) | PARP1SCN9ABCAT2TGFBR1KDM4E | |
| SCHEMBL28042519 | 0.75 | BCAT2 (0.43) | PARP1SCN9ABCAT2TYK2TGFBR1 | |
| SCHEMBL12528566 | 0.71 | BCHE (0.58) | SCN9ACAPN1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL1203519 | 0.70 | BCAT2 (0.59) | PARP1BCAT2SMN1; SMN2KDM4ECSNK1A1 | |
| SCHEMBL29940950 | 0.70 | BCAT2 (0.59) | PARP1BCAT2SMN1; SMN2KDM4ECSNK1A1 | |
| SCHEMBL2265265 | 0.70 | PARP1 (1.00) | PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105101800-A | Heterocyclic compounds as pesticides | BAYER CROPSCIENCE AG | 2015-11-25 | — | — | CN | disclosed |