Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| SCHEMBL22021904 | 0.78 | — | — | |
| SCHEMBL23471447 | 0.77 | GRM5 (0.38) | — | |
| SCHEMBL12573365 | 0.74 | ADAM17 (0.48) | PARP1BRD4CREBBP | |
| SCHEMBL29431445 | 0.74 | ADAM17 (0.48) | PARP1BRD4CREBBP | |
| SCHEMBL21212265 | 0.70 | CSNK1D (0.36) | — | |
| SCHEMBL21350132 | 0.70 | S100A4 (0.39) | PARP1BRD4CREBBP | |
| SCHEMBL1673961 | 0.69 | HTR3E (0.38) | PARP1BRD4CREBBP | |
| SCHEMBL21332646 | 0.69 | HTR3E (0.38) | PARP1BRD4CREBBP | |
| SCHEMBL29773952 | 0.69 | HTR3E (0.38) | PARP1BRD4CREBBP | |
| SCHEMBL24379437 | 0.67 | CRBN (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021121282-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS WITH IMMUNOMODULATORY FUNCTION | 上海轶诺药业有限公司 | 2021-06-24 | — | — | WO | disclosed |
| WO-2020024997-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION | 上海轶诺药业有限公司 | 2020-02-06 | — | — | WO | disclosed |