Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.64 |
| ▸ | PARP10 | Q53GL7 | 8/20 | 0.64 |
| ▸ | PARP11 | Q9NR21 | 7/20 | 0.64 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6421827 | 1.00 | PARP1 (0.64) | PARP1PARP10PARP11PDPK1ACHE | |
| SCHEMBL29871952 | 0.81 | CDK5 (0.61) | PARP1PARP10PARP11SRD5A1PIM1 | |
| SCHEMBL1078443 | 0.81 | CDK5 (0.61) | PARP1PARP10PARP11SRD5A1PIM1 | |
| SCHEMBL797996 | 0.78 | PARP1 (0.64) | PARP1PARP10PARP11PDPK1ACHE | |
| SCHEMBL21350834 | 0.78 | SRD5A1 (0.41) | PARP1PARP10PARP11PDPK1SRD5A1 | |
| SCHEMBL8118685 | 0.78 | PARP1 (0.64) | PARP1PARP10PARP11PDPK1ACHE | |
| SCHEMBL5073463 | 0.78 | PARP1 (0.64) | PARP1PARP10PARP11PDPK1ACHE | |
| SCHEMBL7581623 | 0.78 | PARP1 (1.00) | PARP1PARP10PARP11PDPK1ACHE | |
| SCHEMBL830807 | 0.78 | PARP1 (1.00) | PARP1PARP10PARP11PDPK1ACHE | |
| SCHEMBL4165821 | 0.78 | ACHE (0.54) | PARP1PARP10PARP11PDPK1ACHE |
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-116507608-A | Compounds, compositions, and methods | 戴纳立制药公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-109863145-B | Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2022-04-12 | — | — | CN | disclosed |