Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP11 | Q9NR21 | 9/20 | 0.55 |
| ▸ | PARP10 | Q53GL7 | 9/20 | 0.55 |
| ▸ | GRM5 | P41594 | 5/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | PRKACG | P22612 | 1/20 | 0.46 |
| ▸ | PRKACB | P22694 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL21040262 | 1.00 | PARP11 (0.55) | PARP11PARP10GRM5GABRG2GABRB3 | |
| SCHEMBL379341 | 0.83 | GRM5 (0.67) | PARP11PARP10GRM5PARP1PDPK1 | |
| SCHEMBL8323443 | 0.83 | GRM5 (0.67) | PARP11PARP10GRM5PARP1PDPK1 | |
| SCHEMBL19574541 | 0.83 | PARP11 (0.55) | PARP11PARP10GRM5GABRG2GABRB3 | |
| SCHEMBL8542496 | 0.82 | PARP11 (0.51) | PARP11PARP10GRM5GABRG2GABRB3 | |
| SCHEMBL1036450 | 0.80 | KCNA5 (0.53) | PARP11PARP10GRM5GABRG2GABRB3 | |
| SCHEMBL9740545 | 0.79 | MAOB (0.57) | — | |
| SCHEMBL25597402 | 0.79 | PARP11 (0.50) | PARP11PARP10GRM5GABRG2GABRB3 | |
| Hydrochloric Acid SCHEMBL12502617 | 0.79 | PARP11 (0.50) | PARP11PARP10GRM5GABRG2GABRB3 | |
| SCHEMBL1239440 | 0.79 | PARP11 (0.50) | PARP11PARP10GRM5GABRG2GABRB3 |
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-109810041-B | Halogenated allylamine SSAO/VAP-1 inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-08-15 | — | — | CN | disclosed |