Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
| ▸ | HTR2B | P41595 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 5/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6635520 | 0.77 | PARP3 (0.53) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL11750196 | 0.77 | PARP3 (0.61) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL12220005 | 0.77 | PARP3 (0.53) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL30185581 | 0.74 | PARP3 (0.50) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL1315337 | 0.74 | PARP3 (0.62) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL8931375 | 0.73 | PARP3 (0.49) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL21187169 | 0.73 | PARP3 (0.49) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL29594704 | 0.73 | PARP3 (0.56) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL21187216 | 0.73 | PARP3 (0.49) | PARP3HTR2AHTR2CHTR2BCA12 | |
| SCHEMBL29458586 | 0.73 | PARP3 (0.49) | PARP3HTR2AHTR2CHTR2BCA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |