Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10472432 | 0.90 | GSK3B (0.39) | GSK3BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9833683 | 0.85 | PDE3B (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Water SCHEMBL10471047 | 0.84 | PDE3B (0.45) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL6455942 | 0.77 | DDB1 (0.40) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9835356 | 0.74 | ATAD2 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10567136 | 0.74 | HSD17B10 (0.45) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9834421 | 0.74 | ALDH1A1 (0.41) | TSHRKDM4EALDH1A1PGR | |
| SCHEMBL9832061 | 0.72 | PDE3B (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9835634 | 0.72 | ATAD2 (0.44) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9833102 | 0.71 | PDE4A (0.49) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0161632-B1 | PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES | Roche Diagnostics GmbH (DE) | 1991-04-10 | — | — | EP | disclosed |
| US-4963686-A | INTERMEDIATES FOR INOTROPIC AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1990-10-16 | — | — | US | disclosed |