Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | HCK | P08631 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.35 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.35 |
| ▸ | PRKDC | P78527 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | CDK4 | P11802 | 5/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28987249 | 1.00 | KMT2A (0.40) | KMT2APIK3CDABL1EGFRHCK | |
| SCHEMBL30278675 | 0.95 | KMT2A (0.36) | KMT2APIK3CDCDK4FLT3AXL | |
| SCHEMBL28987266 | 0.95 | KMT2A (0.36) | KMT2APIK3CDCDK4FLT3AXL | |
| SCHEMBL19966454 | 0.86 | KMT2A (0.40) | KMT2APIK3CDPIK3CAMTORCDK4 | |
| SCHEMBL28987262 | 0.76 | GRIN1 (0.41) | GRIN2BGRIN1 | |
| SCHEMBL19966494 | 0.76 | CDK4 (0.47) | CDK4FLT3GRIN2BGRIN1PRKD3 | |
| SCHEMBL30278672 | 0.76 | GRIN1 (0.41) | GRIN2BGRIN1 | |
| SCHEMBL15252527 | 0.73 | CDK9 (0.51) | CDK4CDK2CDK6JAK2CCNE1 | |
| SCHEMBL19089070 | 0.71 | CDK4 (0.55) | CDK4CDK2CDK6CDK5CCNE1 | |
| SCHEMBL19966515 | 0.71 | CDK4 (0.40) | KMT2APIK3CAMTORCDK4CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116003408-A | Heterocyclic compound, and preparation method and application thereof | 绵阳市中心医院 | 2023-04-25 | — | — | CN | disclosed |