Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TIPARP | Q7Z3E1 | 18/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.53 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26915033 | 1.00 | TIPARP (0.54) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL26914956 | 1.00 | TIPARP (0.54) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL26914980 | 0.88 | TIPARP (0.46) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL24639898 | 0.88 | TIPARP (0.52) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL26915142 | 0.88 | TIPARP (0.46) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL24639897 | 0.88 | TIPARP (0.52) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL29841888 | 0.88 | TIPARP (0.46) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL24639917 | 0.88 | TIPARP (0.52) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL24640513 | 0.86 | TIPARP (0.61) | TIPARPPARP2PARP1CYP2C9CYP2C19 | |
| SCHEMBL14465885 | 0.86 | TIPARP (0.53) | TIPARPPARP2PARP1CYP2C9CYP2C19 |
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-117083274-A | Fused ring heterocyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-116724044-A | Tri-heterocyclic compound, preparation method and application thereof | 上海湃隆生物科技有限公司 | 2023-09-08 | — | — | CN | disclosed |