Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.41 |
| ▸ | PARP1 | P09874 | 6/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13908149 | 0.89 | BRD4 (0.41) | BRD4PARP1PTGES | |
| SCHEMBL3965280 | 0.80 | PARP1 (0.41) | BRD4PARP1PTGESHCRTR1HCRTR2 | |
| SCHEMBL1285574 | 0.79 | BRD4 (0.45) | BRD4PARP1PTGES | |
| SCHEMBL13907882 | 0.79 | NPC1 (0.49) | BRD4HCRTR1HCRTR2 | |
| SCHEMBL1144471 | 0.79 | HSP90AA1 (0.57) | PARP1EGLN1HSP90AA1ESR2TDP1 | |
| SCHEMBL13906625 | 0.77 | NPC1 (0.37) | HSP90AA1ESR2TDP1 | |
| SCHEMBL20203104 | 0.76 | BRD4 (0.45) | BRD4PTGESEGLN1HCRTR1HCRTR2 | |
| SCHEMBL3960529 | 0.75 | PARP1 (0.42) | BRD4PARP1PTGESHCRTR1HCRTR2 | |
| SCHEMBL3674991 | 0.74 | EGLN1 (0.41) | PARP1EGLN1HSP90AA1ESR2TDP1 | |
| SCHEMBL8847752 | 0.74 | PRKCZ (0.42) | EGLN1HSP90AA1ESR2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |