Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 12/20 | 0.41 |
| ▸ | HTR2B | P41595 | 9/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 6/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 6/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL10272451 | 0.81 | CDK5 (0.43) | HTR2CHTR2BGRM5CHRM4CHRM5 | |
| SCHEMBL1596532 | 0.77 | CDK5 (0.42) | HTR2CHTR2BGRM5CHRM4CHRM5 | |
| SCHEMBL10272062 | 0.77 | CDK5 (0.47) | HTR2CHTR2BGRM5CHRM4CHRM5 | |
| SCHEMBL12356426 | 0.77 | CDK5 (0.42) | HTR2CHTR2BGRM5CHRM4CHRM5 | |
| SCHEMBL31128506 | 0.77 | CDK5 (0.47) | HTR2CHTR2BGRM5CHRM4CHRM5 | |
| SCHEMBL12356425 | 0.77 | CDK5 (0.42) | HTR2CHTR2BGRM5CHRM4CHRM5 | |
| SCHEMBL24197819 | 0.76 | CDK5 (0.46) | HTR2CHTR2BGRM5CHRM4CHRM5 | |
| SCHEMBL12826117 | 0.76 | CDK5 (0.46) | HTR2CHTR2BGRM5CHRM4CHRM5 | |
| SCHEMBL1819834 | 0.74 | GRM5 (0.47) | HTR2CHTR2BGRM5CDK5CDK5R1 | |
| SCHEMBL8055655 | 0.69 | CDK5 (0.42) | GRM5CDK5CDK5R1CCNA2CDK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100412064-C | Malononitrile compounds and its use | SUMITOMO CHEMICAL CO (JP) | 2008-08-20 | — | — | CN | disclosed |
| EP-1555259-B1 | Malononitrile compounds as pesticides | SUMITOMO CHEMICAL CO (JP) | 2008-01-02 | — | — | EP | disclosed |
| CN-1648122-A | Malononitrile compounds and its use | SUMITOMO CHEMICAL CO (JP) | 2005-08-03 | — | — | CN | disclosed |
| EP-1555259-A1 | Malononitrile compounds as pesticides | Sumitomo Chemical Company, Limited (JP) | 2005-07-20 | — | — | EP | disclosed |