Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARG | Q86W56 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 5/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19770702 | 0.71 | PARG (0.51) | PARGKAT2B | |
| SCHEMBL24341944 | 0.71 | ENPP1 (0.48) | PARGKAT2B | |
| SCHEMBL17824856 | 0.70 | PARG (0.50) | PARG | |
| SCHEMBL30976297 | 0.70 | PARG (0.50) | PARG | |
| SCHEMBL31091769 | 0.69 | KAT2B (0.50) | PARGKAT2B | |
| SCHEMBL17559135 | 0.69 | KAT2B (0.50) | PARGKAT2B | |
| SCHEMBL19770700 | 0.68 | PARG (0.45) | PARGKAT2BAURKAAURKB | |
| SCHEMBL15069153 | 0.68 | BRD4 (0.51) | KAT2B | |
| SCHEMBL17559110 | 0.68 | KAT2B (0.54) | PARGKAT2B | |
| SCHEMBL30976239 | 0.67 | TSHR (0.45) | PARGKAT2B |
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-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | WO | disclosed |