Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 7/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 7/20 | 0.46 |
| ▸ | HTR2C | P28335 | 9/20 | 0.43 |
| ▸ | HTR2B | P41595 | 7/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.43 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12826117 | 1.00 | CDK5 (0.46) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL31128506 | 0.98 | CDK5 (0.47) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL10272062 | 0.98 | CDK5 (0.47) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL10272451 | 0.94 | CDK5 (0.43) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL24803727 | 0.86 | HTR2C (0.43) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL1596532 | 0.79 | CDK5 (0.42) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL12356425 | 0.79 | CDK5 (0.42) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL12356426 | 0.79 | CDK5 (0.42) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL4595953 | 0.76 | HTR2C (0.41) | CDK5CDK5R1HTR2CHTR2BCCNA2 | |
| SCHEMBL24869473 | 0.75 | CDK5 (0.50) | CDK5CDK5R1HTR2CHTR2BCCNA2 |
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-2022007966-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川海思科制药有限公司 | 2022-01-13 | — | — | WO | disclosed |