Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 9/20 | 0.35 |
| ▸ | CDK2 | P24941 | 9/20 | 0.35 |
| ▸ | PDE2A | O00408 | 6/20 | 0.33 |
| ▸ | CDK7 | P50613 | 2/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL26973961 | 0.78 | ALDH1A1 (0.40) | CDK9CDK2CCNE1 | |
| SCHEMBL26973963 | 0.77 | CDK2 (0.37) | CDK9CDK2CCNE1GSK3B | |
| SCHEMBL26973993 | 0.71 | CDK2 (0.33) | CDK9CDK2CDK7CCNHMNAT1 | |
| SCHEMBL15245996 | 0.64 | CDK2 (0.40) | CDK9CDK2CDK7CCNHMNAT1 | |
| SCHEMBL23547295 | 0.64 | CCNE1 (0.41) | CDK2CCNE1 | |
| SCHEMBL21486451 | 0.64 | HRH3 (0.37) | CDK9CDK2CDK7CCNHMNAT1 | |
| SCHEMBL18430319 | 0.63 | ACACB (0.45) | PDE2AKCNQ3KCNQ2 | |
| SCHEMBL21481492 | 0.62 | PTPN11 (0.38) | CDK9CDK2CDK7CCNHMNAT1 | |
| SCHEMBL21481494 | 0.62 | CDK2 (0.37) | CDK9CDK2CDK7CCNHMNAT1 | |
| SCHEMBL20971704 | 0.61 | MAPT (0.54) | CDK9CDK2CDK7CCNHMNAT1 |
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-2021121390-A1 | HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND APPLICATION THEREOF | 苏州信诺维医药科技股份有限公司 | 2021-06-24 | — | — | WO | disclosed |