Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.40 |
| ▸ | PDE9A | O76083 | 5/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.40 |
| ▸ | GSK3A | P49840 | 3/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.40 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL4051351 | 0.98 | PDE9A (0.42) | AAK1PBKPDE9ACCNB2CDK1 | |
| SCHEMBL4048041 | 0.97 | PBK (0.40) | AAK1PBKPDE9ACCNB2CDK1 | |
| SCHEMBL4047661 | 0.93 | PBK (0.42) | AAK1PBKPDE9ACCNB2CDK1 | |
| SCHEMBL4055775 | 0.84 | LMNA (0.36) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL4056218 | 0.83 | LMNA (0.39) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL4046851 | 0.81 | LMNA (0.34) | PBKCCNB2CDK1CCNB1GSK3A | |
| SCHEMBL4046172 | 0.77 | METAP2 (0.35) | PBKCCNB2CDK1CCNB1GSK3A | |
| SCHEMBL4046994 | 0.71 | ADORA1 (0.42) | CDK1CCNB1GSK3AGSK3BADORA2A | |
| SCHEMBL4054581 | 0.70 | ADORA1 (0.40) | PBKADORA2AADORA2BADORA1METAP2 | |
| SCHEMBL6791015 | 0.69 | DGAT2 (0.42) | AAK1PDE9AGSK3BUTS2RADORA2A |
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 |