Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.33 |
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3952081 | 0.83 | GSK3B (0.38) | GSK3BKDM4EMAPTPDE3BPDE3A | |
| SCHEMBL4370028 | 0.81 | ADORA1 (0.41) | GSK3BADORA3ADORA2AADORA1MAPK8 | |
| SCHEMBL3954959 | 0.80 | GSK3B (0.36) | GSK3BKDM4EMAPTPDE3BPDE3A | |
| SCHEMBL28836229 | 0.80 | CCR1 (0.34) | GSK3BMAPK8GSK3ACDK5CCR1 | |
| SCHEMBL7832083 | 0.80 | KDM4E (0.36) | GSK3BKDM4EGSK3ACDK5CCR1 | |
| SCHEMBL6317646 | 0.79 | LRRK2 (0.33) | MAPTDYRK1ALRRK2CCR1CCR5 | |
| Hydrochloric Acid SCHEMBL28836198 | 0.79 | CYP1A2 (0.35) | GSK3BMAPK8GSK3ACDK5CCR1 | |
| SCHEMBL4370037 | 0.79 | NOS2 (0.41) | GSK3BKDM4EPDE3BPDE3AMAPK8 | |
| SCHEMBL8875881 | 0.76 | GSK3B (0.44) | GSK3BMAPK8GSK3ACDK5MAPK9 | |
| SCHEMBL8214129 | 0.75 | CCNB2 (0.40) | GSK3BGSK3APDE9APARP14CCNB2 |
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-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |