Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 11/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 7/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.47 |
| ▸ | CCNK | O75909 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.47 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15649934 | 1.00 | CDK9 (0.48) | CDK9GSK3AIRAK1CDK2CCNT1 | |
| SCHEMBL18416745 | 0.86 | HSP90AA1 (0.46) | KCNQ3KCNQ2 | |
| SCHEMBL15720877 | 0.85 | KCNQ3 (0.42) | CDK9GSK3AIRAK1CDK2CCNT1 | |
| SCHEMBL12098360 | 0.83 | GPBAR1 (0.43) | CDK9GSK3AIRAK1CDK2CCNT1 | |
| SCHEMBL12098356 | 0.82 | GPBAR1 (0.43) | CDK9GSK3AIRAK1CDK2CCNT1 | |
| SCHEMBL30507433 | 0.82 | CDK9 (0.54) | CDK9GSK3AIRAK1CDK2CCNT1 | |
| SCHEMBL15650695 | 0.82 | CDK9 (0.54) | CDK9GSK3AIRAK1CDK2CCNT1 | |
| SCHEMBL15682390 | 0.77 | F2RL1 (0.40) | CDK9GSK3AIRAK1CDK2CCNT1 | |
| SCHEMBL14785028 | 0.77 | CDK2 (0.50) | CDK9CDK2CCNT1CCNE1 | |
| SCHEMBL29944149 | 0.77 | CDK2 (0.50) | CDK9CDK2CCNT1CCNE1 |
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-117683020-A | Aminopyridine compound of phthalazinone, preparation method thereof and application thereof in preparation of inhibitor and antitumor drug | 华南理工大学 | 2024-03-12 | — | — | CN | disclosed |
| CN-117510513-A | Heterocyclic compounds having biological activity | 首药控股(北京)股份有限公司 | 2024-02-06 | — | — | CN | disclosed |