Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 5/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19771667 | 1.00 | MAP3K12 (0.47) | MAP3K12LCKMAPK1KDM4ELMNA | |
| SCHEMBL4595845 | 0.75 | KMT2A (0.48) | KDM4ELMNACDK2CDK5ALDH1A1 | |
| SCHEMBL4595367 | 0.73 | KDR (0.47) | LCKKDM4ELMNACDK2CDK7 | |
| SCHEMBL3235047 | 0.71 | KMT2A (0.45) | KDM4ELMNAALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL16220373 | 0.70 | MAP3K12 (0.48) | MAP3K12 | |
| SCHEMBL4595519 | 0.70 | KMT2A (0.42) | LCKKDM4ELMNACDK2CDK9 | |
| SCHEMBL18153286 | 0.70 | KMT2A (0.51) | KDM4ELMNACDK2CDK5ALDH1A1 | |
| SCHEMBL19771676 | 0.69 | MAP3K12 (0.41) | MAP3K12LCKKDM4ECDK2CDK5 | |
| SCHEMBL22239498 | 0.69 | MAP3K12 (0.41) | MAP3K12LCKKDM4ECDK2CDK5 | |
| SCHEMBL2822274 | 0.69 | KMT2A (0.52) | MAPK1KDM4ELMNAMAPTCDK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2991977-B1 | C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES | HOFFMANN LA ROCHE (CH) | 2020-07-22 | — | — | EP | disclosed |