Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.51 |
| ▸ | AMY1A | P0DUB6 | 9/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10698205 | 0.84 | AURKA (0.52) | AURKAAURKBAMY1APDE5APDE3B | |
| SCHEMBL10697452 | 0.84 | AURKB (0.57) | AURKAAURKBPDE3BPDE3ACHEK1 | |
| SCHEMBL10373868 | 0.79 | PDE3B (0.49) | AURKAAURKBAMY1APDE5APDE3B | |
| SCHEMBL10697190 | 0.79 | AURKA (0.54) | AURKAAURKBAMY1APDE3BPDE3A | |
| SCHEMBL10701197 | 0.78 | AURKA (0.57) | AURKAAURKBPDE3BPDE3AKDR | |
| SCHEMBL10694262 | 0.76 | AURKB (0.48) | AURKAAURKBPDE3BPDE3ACHEK1 | |
| SCHEMBL10697449 | 0.76 | AURKA (0.57) | AURKAAURKBPDE3BPDE3ACHEK1 | |
| SCHEMBL10642049 | 0.76 | NPC1 (0.36) | AMY1APDE5APDE3BPDE3ANPC1 | |
| Hydrochloric Acid SCHEMBL10699432 | 0.75 | AURKA (0.56) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4957006 | 0.75 | AURKA (0.66) | AURKAAURKBPDE3BPDE3ACHEK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0268178-A1 | Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-05-25 | — | — | EP | disclosed |