Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKN1 | Q16512 | 2/20 | 0.54 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | 0.89 | PDE4A (0.48) | PKN1PKN2PDE4APDE4BPDE4C | |
| SCHEMBL9833942 | 0.89 | KDM4E (0.47) | PKN1PKN2NPC1RAB9AALDH1A1 | |
| SCHEMBL9830544 | 0.85 | PDE4A (0.51) | PKN1PKN2PDE4APDE4BPDE4C | |
| SCHEMBL10571709 | 0.85 | SIRT2 (0.39) | PKN1PKN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10563558 | 0.83 | TDP2 (0.41) | PKN1PKN2PDE3BPDE3ANPC1 | |
| SCHEMBL9834430 | 0.83 | TDP2 (0.45) | PDE3BPDE3ARAB9AALDH1A1KDM4E | |
| SCHEMBL9833068 | 0.82 | TDP2 (0.44) | PKN1PKN2PDE3BPDE3AALDH1A1 | |
| SCHEMBL10567219 | 0.82 | TDP2 (0.39) | PKN1PKN2PDE3BPDE3ANPC1 | |
| SCHEMBL10566874 | 0.82 | TDP2 (0.37) | PKN1PKN2NPC1RAB9AALDH1A1 | |
| SCHEMBL10568204 | 0.81 | TDP2 (0.39) | PKN1PKN2PDE3BPDE3ANPC1 |
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 |