Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10472431 | 0.90 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9833678 | 0.86 | PDE3B (0.59) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Water SCHEMBL10471046 | 0.85 | PDE3B (0.58) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10697724 | 0.79 | AURKA (0.49) | AURKAAURKBKITCACNA1HCCNB2 | |
| SCHEMBL9835346 | 0.77 | PDE3B (0.51) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10567130 | 0.77 | TSHR (0.52) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL6455933 | 0.76 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10472429 | 0.75 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9835632 | 0.75 | KMT2A (0.50) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10556062 | 0.74 | KRAS (0.51) | 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 |