Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | 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 |
| ▸ | POLB | P06746 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9834487 | 0.89 | PDE4A (0.37) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL9833648 | 0.88 | AURKA (0.37) | HSP90AA1ESR2TDP1AURKAAURKB | |
| SCHEMBL9835803 | 0.86 | HSP90AA1 (0.40) | HSP90AA1ESR2TDP1AURKAAURKB | |
| SCHEMBL9836465 | 0.85 | HSP90AA1 (0.40) | HSP90AA1ESR2TDP1AURKAAURKB | |
| SCHEMBL9833069 | 0.84 | AURKA (0.37) | HSP90AA1ESR2TDP1AURKAAURKB | |
| SCHEMBL9832543 | 0.81 | PDE4A (0.62) | AURKAAURKBHPGDALDH1A1PDE4A | |
| SCHEMBL9834966 | 0.78 | AURKA (0.56) | HSP90AA1ESR2TDP1AURKAAURKB | |
| SCHEMBL9832837 | 0.78 | ALDH1A1 (0.50) | HPGDALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL9833681 | 0.76 | AURKA (0.35) | AURKAAURKBHPGDALDH1A1PDE4A | |
| SCHEMBL9835776 | 0.76 | FABP6 (0.40) | TDP1AURKAAURKBALDH1A1PDE4A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0214592-B1 | PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS | Roche Diagnostics GmbH (DE) | 1991-08-14 | — | — | EP | disclosed |
| US-4730003-A | Tricyclic compounds for treating heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1988-03-08 | — | — | US | disclosed |
| EP-0214592-A2 | Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products | Roche Diagnostics GmbH (DE) | 1987-03-18 | — | — | EP | disclosed |