Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PKN1 | Q16512 | 5/20 | 0.46 |
| ▸ | PKN2 | Q16513 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RHEB | Q15382 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9832273 | 0.88 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9833850 | 0.87 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL10373859 | 0.86 | CHEK2 (0.49) | PDE3BPDE3AALDH1A1KDM4EHPGD | |
| SCHEMBL9833477 | 0.85 | PKN1 (0.54) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10470299 | 0.83 | PDE3B (0.55) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL11024183 | 0.83 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10567017 | 0.81 | IDO1 (0.34) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9832544 | 0.79 | CHRNB2 (0.42) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL9831067 | 0.78 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9833576 | 0.78 | 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 |