Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 9/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 9/20 | 0.37 |
| ▸ | PDE4A | P27815 | 8/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | MAP3K11 | Q16584 | 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 | |
|---|---|---|---|---|
| SCHEMBL9831453 | 0.85 | ATAD2 (0.38) | PGRPDE3BPDE3APDE4APDE4B | |
| SCHEMBL9832238 | 0.81 | PDE3B (0.36) | PGRPDE3BPDE3APDE4APDE4B | |
| SCHEMBL9832061 | 0.81 | PDE3B (0.49) | PGRPDE3BPDE3APDE4APDE4B | |
| Water SCHEMBL10470996 | 0.80 | PDE3B (0.48) | PGRPDE3BPDE3APDE4APDE4B | |
| SCHEMBL9831560 | 0.80 | PGR (0.41) | PGRPDE3BPDE3APDE4APDE4B | |
| SCHEMBL10585407 | 0.80 | KDM4E (0.55) | PGRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10566029 | 0.78 | ATAD2 (0.39) | PGRPDE3BPDE3APDE4APDE4B | |
| SCHEMBL9835825 | 0.76 | PDK2 (0.50) | PGRPDE3BPDE3APDE4APDE4B | |
| SCHEMBL10373337 | 0.75 | MAP3K11 (0.45) | PGRATAD2KDM4EALDH1A1MAPT | |
| SCHEMBL10568435 | 0.75 | ATAD2 (0.41) | PGRPDE3BPDE3APDE4APDE4B |
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 |