Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.45 |
| ▸ | PDE9A | O76083 | 4/20 | 0.45 |
| ▸ | TNKS | O95271 | 14/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 14/20 | 0.43 |
| ▸ | PARP1 | P09874 | 13/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.43 |
| ▸ | PARP8 | Q8N3A8 | 1/20 | 0.43 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.43 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29965948 | 0.75 | TP53 (0.59) | TNKSTNKS2PARP1ADORA3SLC6A3 | |
| SCHEMBL28895087 | 0.74 | PARP1 (0.46) | PDE5APDE9APARP1TP53 | |
| SCHEMBL29965256 | 0.74 | PARP1 (0.42) | PDE5APDE9APARP1TP53PLA2G10 | |
| SCHEMBL3337877 | 0.72 | PARP1 (0.51) | PDE5APDE9APARP1ADORA3TP53 | |
| SCHEMBL28895268 | 0.70 | ALDH1A1 (0.55) | PARP1ADORA3 | |
| SCHEMBL29965925 | 0.70 | ALDH1A1 (0.55) | PARP1ADORA3 | |
| SCHEMBL29965714 | 0.69 | PARP1 (0.51) | PARP1 | |
| SCHEMBL3583998 | 0.65 | PDE9A (0.57) | PDE5APDE9ATNKSTNKS2PARP1 | |
| SCHEMBL3592998 | 0.63 | TNKS (0.45) | PDE5APDE9ATNKSTNKS2PARP1 | |
| SCHEMBL3496118 | 0.62 | PDE5A (1.00) | PDE5APDE9A |
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-115368362-A | Quinoxalinone derivatives as BTK inhibitors and application thereof | 华东理工大学 | 2022-11-22 | — | — | CN | disclosed |