Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 8/20 | 0.47 |
| ▸ | GRM5 | P41594 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 4/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2303391 | 1.00 | CDK4 (0.47) | CDK4GRM5KCNH2NPY5RADRA1A | |
| SCHEMBL12425491 | 1.00 | CDK4 (0.47) | CDK4GRM5KCNH2NPY5RADRA1A | |
| SCHEMBL2300558 | 0.83 | CDK4 (0.45) | CDK4GRM5 | |
| SCHEMBL736268 | 0.81 | CDK4 (0.45) | CDK4GRM5KCNH2NPY5RADRA1A | |
| SCHEMBL736989 | 0.81 | CDK4 (0.43) | CDK4GRM5KCNH2NPY5RADRA1A | |
| SCHEMBL736627 | 0.79 | CHRNB2 (0.46) | CDK4GRM5KCNH2NPY5RADRA1A | |
| SCHEMBL738199 | 0.79 | CDK4 (0.44) | CDK4GRM5KCNH2NPY5RADRA1A | |
| SCHEMBL736348 | 0.79 | OPRL1 (0.44) | CDK4GRM5KCNH2NPY5RADRA1A | |
| Hydrochloric Acid SCHEMBL4730076 | 0.76 | GRM5 (0.49) | CDK4GRM5KCNH2NPY5RADRA1A | |
| SCHEMBL2303454 | 0.75 | CDK4 (0.47) | CDK4GRM5KCNH2NPY5RTRPV4 |
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-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |