Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 19/20 | 0.61 |
| ▸ | PARP2 | Q9UGN5 | 9/20 | 0.53 |
| ▸ | PARP3 | Q9Y6F1 | 8/20 | 0.53 |
| ▸ | TNKS | O95271 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.53 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.53 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.53 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.53 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.53 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.53 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2264934 | 0.85 | PARP1 (0.62) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL30158029 | 0.81 | PARP2 (0.51) | PARP1PARP2PARP3IRAK4 | |
| Trifluoroacetic Acid SCHEMBL2263381 | 0.79 | PARP1 (0.56) | PARP1PARP2PARP3TNKSCHRM2 | |
| Tert-Butyl Formate SCHEMBL27738202 | 0.78 | PARP1 (0.52) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL30158009 | 0.77 | PARP1 (0.57) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL2268852 | 0.77 | GAA (0.52) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL30158092 | 0.76 | PARP1 (0.53) | PARP1PARP2PARP3 | |
| SCHEMBL2270258 | 0.76 | BTK (0.50) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL28612193 | 0.76 | PARP1 (1.00) | PARP1PARP2PARP3TNKSCHRM2 | |
| Trifluoroacetic Acid SCHEMBL2264049 | 0.76 | IRAK4 (0.47) | PARP1PARP2PARP3IRAK4 |
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-107353280-A | A kind of preparation method of AG14361 | 苏州旷世骏弛生物科技有限公司 | 2017-11-17 | — | — | CN | claimed |
| CN-107353280-A | A kind of preparation method of AG14361 | 苏州旷世骏弛生物科技有限公司 | 2017-11-17 | — | — | CN | disclosed |