Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9382509 | 0.83 | PDE5A (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9378253 | 0.82 | PDE4A (0.54) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9383800 | 0.81 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10699235 | 0.80 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9378130 | 0.79 | KDM4E (0.52) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9385715 | 0.78 | CBFB (0.54) | NPC1RAB9AKDM4ENPSR1KMT2A | |
| SCHEMBL9382393 | 0.78 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9380164 | 0.78 | ESR1 (0.47) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9381958 | 0.78 | GUSB (0.39) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9702847 | 0.77 | PDE4A (0.42) | PDE4APDE4BPDE4CPDE4DPDE3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116843-A | Anticoagulants, hypotensive agents and cardiovascular disorder | BOEHRINGER MANNHEIM GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| EP-0275888-A2 | Tricyclic benzimidazoles, process for their preparation and use as medicaments | Roche Diagnostics GmbH (DE) | 1988-07-27 | — | — | EP | disclosed |