Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 4/20 | 0.33 |
| ▸ | LATS1 | O95835 | 2/20 | 0.32 |
| ▸ | LATS2 | Q9NRM7 | 2/20 | 0.32 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | BUB1 | O43683 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.30 |
| ▸ | CCNC | P24863 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28606952 | 0.94 | USP30 (0.36) | TGFBR1USP30BUB1CCNT1CDK9 | |
| SCHEMBL25635405 | 0.81 | CDK9 (0.39) | GSK3BCCNT1CDK9 | |
| SCHEMBL29799769 | 0.80 | CDK9 (0.36) | GSK3BCCNT1CDK9 | |
| SCHEMBL24031553 | 0.80 | CDK9 (0.36) | GSK3BCCNT1CDK9 | |
| SCHEMBL24035526 | 0.80 | CDK9 (0.36) | GSK3BCCNT1CDK9 | |
| SCHEMBL24035652 | 0.77 | CDK9 (0.42) | GSK3BCCNT1CDK9 | |
| Bicarbonate SCHEMBL28629530 | 0.75 | TGFBR1 (0.42) | TGFBR1BUB1CDK9 | |
| SCHEMBL24035549 | 0.75 | CDK9 (0.35) | CCNT1CDK9 | |
| SCHEMBL30489991 | 0.75 | CDK9 (0.49) | GSK3BCCNT1CDK9 | |
| SCHEMBL30816776 | 0.75 | CDK9 (0.47) | TGFBR1NFATC1GSK3BDYRK1ABUB1 |
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-2021227904-A1 | POLYCYCLIC AMIDE DERIVATIVE AS CDK9 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州阿尔脉生物科技有限公司 | 2021-11-18 | — | — | WO | disclosed |