Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.58 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.58 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.58 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10477800 | 0.89 | NPC1 (0.50) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9834489 | 0.83 | PDE3B (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9834485 | 0.83 | PDE3B (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL10373985 | 0.81 | ALDH1A1 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9834055 | 0.80 | PDE3B (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9834059 | 0.80 | PDE3B (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9832377 | 0.79 | PDE3B (0.50) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Adibendan SCHEMBL9832050 | 0.78 | PDE3B (0.90) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Adibendan SCHEMBL10470994 | 0.77 | PDE3B (0.88) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9833827 | 0.77 | PDE3B (0.48) | 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 |