Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.49 |
| ▸ | PARP1 | P09874 | 6/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | PARP16 | Q8N5Y8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL30185581 | 0.94 | PARP3 (0.50) | PARP3PARP1PARP2HTR2AHTR2C | |
| SCHEMBL8931375 | 0.79 | PARP3 (0.49) | PARP3PARP1PARP2HTR2AHTR2C | |
| SCHEMBL11750196 | 0.73 | PARP3 (0.61) | PARP3PARP1HTR2AHTR2CHTR2B | |
| SCHEMBL26510292 | 0.72 | PARP10 (0.44) | PARP3PARP1HTR2AHTR2CHTR2B | |
| SCHEMBL31412980 | 0.72 | PARP10 (0.44) | PARP3PARP1HTR2AHTR2CHTR2B | |
| SCHEMBL26121467 | 0.72 | TDP2 (0.37) | PARP3PARP1PARP2PARP10PARP11 | |
| SCHEMBL25758208 | 0.71 | HTR2C (0.33) | PARP1PARP2HTR2CTNKS2TRPA1 | |
| SCHEMBL29458430 | 0.70 | PARP3 (0.43) | PARP3PARP1PARP2HTR2AHTR2C | |
| SCHEMBL12220005 | 0.69 | PARP3 (0.53) | PARP3PARP1HTR2AHTR2CHTR2B | |
| SCHEMBL6635520 | 0.69 | PARP3 (0.53) | PARP3PARP1HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-115611883-A | PI3K alpha inhibitor with bicyclic structure and preparation method and application thereof | 生物岛实验室 | 2023-01-17 | — | — | CN | disclosed |