Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL23198512 | 0.79 | P2RX1 (0.40) | — | |
| SCHEMBL23197827 | 0.79 | — | — | |
| SCHEMBL23197816 | 0.75 | GRIN2D (0.38) | MEN1KMT2AKDRMAPK14TNNI3K | |
| SCHEMBL23197862 | 0.73 | KDM4E (0.34) | MEN1KMT2AKDRMAPK14TNNI3K | |
| SCHEMBL23197786 | 0.72 | KDR (0.36) | MEN1KMT2AKDRMAPK14TNNI3K | |
| SCHEMBL23198132 | 0.67 | GRIN2D (0.36) | MEN1KMT2AKDRMAPK14TNNI3K | |
| SCHEMBL19962841 | 0.66 | GRIN2D (0.50) | MEN1KMT2AKDRGRIN2DGRIN3B | |
| SCHEMBL23197769 | 0.65 | TP53 (0.49) | MEN1KMT2ATDP1 | |
| SCHEMBL23198944 | 0.65 | TP53 (0.46) | MEN1KMT2ATDP1 | |
| SCHEMBL19675199 | 0.64 | MAPT (0.38) | MEN1KMT2AMTOR |
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 |