Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 12/20 | 0.43 |
| ▸ | CCNH | P51946 | 12/20 | 0.43 |
| ▸ | MNAT1 | P51948 | 12/20 | 0.43 |
| ▸ | CCNK | O75909 | 9/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 9/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 8/20 | 0.43 |
| ▸ | CDK9 | P50750 | 8/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.40 |
| ▸ | CDK2 | P24941 | 6/20 | 0.40 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30833890 | 0.80 | IDH2 (0.41) | IDH2CDK7CCNHMNAT1CCNK | |
| SCHEMBL25301974 | 0.80 | CCNT1 (0.43) | IDH2CDK7CCNHMNAT1CCNK | |
| SCHEMBL25301972 | 0.80 | CCNT1 (0.43) | IDH2CDK7CCNHMNAT1CCNK | |
| SCHEMBL23747018 | 0.77 | CCNK (0.58) | CDK7CCNHMNAT1CCNKCDK12 | |
| SCHEMBL26604076 | 0.75 | IDH2 (0.50) | IDH2CDK7CCNHMNAT1CCNK | |
| SCHEMBL26604080 | 0.75 | IDH2 (0.50) | IDH2CDK7CCNHMNAT1CCNK | |
| SCHEMBL25596344 | 0.75 | CCNT1 (0.60) | CDK7CCNHMNAT1CCNKCDK12 | |
| SCHEMBL13524818 | 0.74 | BRD4 (0.52) | CDK7CCNHMNAT1CCNKCDK12 | |
| SCHEMBL13693348 | 0.74 | BRD4 (0.52) | CDK7CCNHMNAT1CCNKCDK12 | |
| SCHEMBL31197275 | 0.74 | CCNK (0.44) | IDH2CDK7CCNHMNAT1CCNK |
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-2021064077-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-08 | — | — | WO | disclosed |