Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.49 |
| ▸ | FYN | P06241 | 4/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | CSF1R | P07333 | 1/20 | 0.49 |
| ▸ | MET | P08581 | 1/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.49 |
| ▸ | LTK | P29376 | 1/20 | 0.49 |
| ▸ | GRK5 | P34947 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4412551 | 0.85 | CYP2A6 (0.60) | CYP2A6ADORA1MAP4K4FYNFGFR1 | |
| SCHEMBL29857982 | 0.85 | ADORA1 (0.49) | CYP2A6ADORA1MAP4K4FYNCHEK1 | |
| SCHEMBL12516853 | 0.85 | ADORA1 (0.49) | CYP2A6ADORA1MAP4K4FYNCHEK1 | |
| SCHEMBL4582434 | 0.85 | ADORA1 (0.49) | CYP2A6ADORA1MAP4K4FYNCHEK1 | |
| SCHEMBL27227708 | 0.84 | PDGFRB (0.50) | CYP2A6ADORA1MAP4K4FYNCHEK1 | |
| SCHEMBL3458331 | 0.81 | ADORA2A (0.52) | CYP2A6ADORA1RAB9ANPC1ADORA2A | |
| SCHEMBL6069433 | 0.80 | RIPK2 (0.50) | CYP2A6MAP4K4FYNABL1CSF1R | |
| SCHEMBL12518227 | 0.79 | CYP2A6 (0.62) | CYP2A6MAP4K4FYNLRRK2RAB9A | |
| SCHEMBL4582784 | 0.79 | MAP4K4 (0.69) | ADORA1MAP4K4FYNCHEK1ABL1 | |
| SCHEMBL30488016 | 0.76 | ADORA1 (0.70) | ADORA1MAP4K4FYNCHEK1ABL1 |
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-2018108156-A1 | ROCK INHIBITOR AND APPLICATION THEREOF | 成都先导药物开发有限公司 | 2018-06-21 | — | — | WO | disclosed |