Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 2/20 | 0.69 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.69 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.69 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.69 |
| ▸ | GRIN2D | O15399 | 9/20 | 0.65 |
| ▸ | GRIN3B | O60391 | 9/20 | 0.65 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.65 |
| ▸ | GRIN2A | Q12879 | 9/20 | 0.65 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.65 |
| ▸ | GRIN2C | Q14957 | 9/20 | 0.65 |
| ▸ | GRIN3A | Q8TCU5 | 9/20 | 0.65 |
| ▸ | DAO | P14920 | 2/20 | 0.42 |
| ▸ | DDO | Q99489 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8090341 | 0.80 | GRIN2D (1.00) | GRIA1GRIA2GRIA3GRIA4GRIN2D | |
| SCHEMBL29115672 | 0.79 | GRIN2D (0.65) | GRIA1GRIA2GRIA3GRIA4GRIN2D | |
| SCHEMBL25093890 | 0.73 | DAO (0.60) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL30493556 | 0.73 | DAO (0.60) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL24715694 | 0.72 | GRIN2D (0.75) | GRIA1GRIA2GRIA3GRIA4GRIN2D | |
| SCHEMBL25317881 | 0.72 | GRIN2D (0.42) | GRIA1GRIA2GRIA3GRIA4GRIN2D | |
| SCHEMBL22912752 | 0.71 | PARP1 (0.51) | GRIA1GRIA2GRIA3GRIA4GRIN2D | |
| SCHEMBL22912682 | 0.71 | PARP1 (0.52) | — | |
| SCHEMBL29394532 | 0.71 | PARP1 (0.52) | — | |
| SCHEMBL29396271 | 0.71 | PARP1 (0.51) | GRIA1GRIA2GRIA3GRIA4GRIN2D |
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 |
|---|---|---|---|---|---|---|---|
| CN-116710433-A | Selective PARP1 inhibitor and application thereof | 成都百裕制药股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2022222966-A1 | SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |