Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL17870788 | 0.93 | CDK9 (0.37) | CDK9ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL17870758 | 0.85 | ALDH1A1 (0.41) | CDK9ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL28651571 | 0.82 | CDK9 (0.39) | CDK9ALDH1A1TNFKDM4EMAPT | |
| SCHEMBL17870821 | 0.78 | CDK9 (0.42) | CDK9ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL17870748 | 0.78 | CDK9 (0.39) | CDK9ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL19873765 | 0.76 | ALDH1A1 (0.38) | CDK9ADORA2BALDH1A1TNFMAPT | |
| SCHEMBL17870770 | 0.76 | CDK9 (0.41) | CDK9ADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL21900263 | 0.75 | CDK9 (0.44) | CDK9ADORA2BALDH1A1LMNAKDM4E | |
| SCHEMBL17870749 | 0.75 | CDK9 (0.40) | CDK9ADORA2BALDH1A1LMNAKDM4E | |
| SCHEMBL17870790 | 0.74 | CDK9 (0.38) | CDK9ALDH1A1LMNAKDM4EMEN1 |
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-3708566-B1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | GALDERMA RES & DEV (FR) | 2023-02-08 | — | — | EP | disclosed |