Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9832272 | 0.89 | ALDH1A1 (0.41) | ALDH1A1KDM4EHSD17B10PDE4APDE4B | |
| SCHEMBL9832631 | 0.87 | KDM4E (0.38) | ALDH1A1KDM4EHSD17B10PDE4APDE4B | |
| SCHEMBL9832551 | 0.87 | KDM4E (0.39) | ALDH1A1KDM4EHSD17B10PDE4APDE4B | |
| SCHEMBL9830028 | 0.86 | KDM4E (0.41) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL10374224 | 0.86 | TNKS2 (0.44) | ALDH1A1KDM4EHSD17B10PDE4APDE4B | |
| SCHEMBL9832061 | 0.83 | PDE3B (0.49) | ALDH1A1KDM4EHSD17B10PDE4APDE4B | |
| SCHEMBL9831490 | 0.83 | KDM4E (0.37) | ALDH1A1KDM4EHSD17B10PDE4APDE4B | |
| Hydrochloric Acid SCHEMBL10470525 | 0.82 | KDM4E (0.36) | ALDH1A1KDM4EHSD17B10PDE4APDE4B | |
| Water SCHEMBL10470996 | 0.82 | PDE3B (0.48) | ALDH1A1KDM4EHSD17B10PDE4APDE4B | |
| SCHEMBL9836473 | 0.82 | MAPK14 (0.33) | MAPK14 |
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 |