Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 16/20 | 0.59 |
| ▸ | CA9 | Q16790 | 16/20 | 0.59 |
| ▸ | RET | P07949 | 2/20 | 0.59 |
| ▸ | GRK5 | P34947 | 2/20 | 0.59 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.59 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.59 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.59 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.59 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.59 |
| ▸ | PIM1 | P11309 | 1/20 | 0.59 |
| ▸ | LTK | P29376 | 1/20 | 0.59 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.59 |
| ▸ | CDK8 | P49336 | 1/20 | 0.59 |
| ▸ | PRKX | P51817 | 1/20 | 0.59 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.59 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.59 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.59 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.59 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.59 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL13931179 | 0.92 | CA12 (0.61) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL29587067 | 0.84 | CA12 (0.53) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL31503491 | 0.78 | CA12 (0.47) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL20529344 | 0.76 | CA12 (0.46) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL1249735 | 0.74 | CA12 (0.62) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL1290860 | 0.74 | CA12 (1.00) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL6753007 | 0.74 | CHEK1 (0.79) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL10815413 | 0.74 | CA12 (0.62) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL31168119 | 0.74 | CHEK1 (0.79) | CA12CA9RETGRK5TYRO3 | |
| SCHEMBL29349483 | 0.74 | CA12 (0.62) | CA12CA9RETGRK5TYRO3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9757375-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2017-09-12 | — | — | US | disclosed |