Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 3/20 | 0.58 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
| ▸ | F12 | P00748 | 2/20 | 0.48 |
| ▸ | PLAU | P00749 | 2/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.47 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.46 |
| ▸ | PLG | P00747 | 2/20 | 0.44 |
| ▸ | F11 | P03951 | 1/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29987075 | 0.83 | MAP4K4 (0.63) | MAP4K4F12PLAUNCF1NOS3 | |
| SCHEMBL27990709 | 0.77 | MAP4K4 (0.60) | MAP4K4F12PLAUNCF1NOS3 | |
| SCHEMBL29508479 | 0.75 | F12 (0.57) | MAP4K4F12PLAUNCF1NOS3 | |
| SCHEMBL5989271 | 0.75 | F12 (0.57) | MAP4K4F12PLAUNCF1NOS3 | |
| SCHEMBL15587570 | 0.74 | MAP4K4 (1.00) | MAP4K4 | |
| SCHEMBL30834093 | 0.73 | KDM4E (0.40) | MAP4K4JAK2F12PLAUNCF1 | |
| SCHEMBL27201388 | 0.73 | KDM4E (0.40) | MAP4K4JAK2F12PLAUNCF1 | |
| SCHEMBL30834158 | 0.73 | MAP4K4 (0.41) | MAP4K4JAK2F12PLAUNCF1 | |
| SCHEMBL27201289 | 0.73 | MAP4K4 (0.41) | MAP4K4JAK2F12PLAUNCF1 | |
| SCHEMBL27201611 | 0.73 | CLK1 (0.55) | MAP4K4JAK2PIK3CAMAPTDYRK1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117279896-A | Amino substituted pyrido ring compounds, preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |
| WO-2022214044-A1 | AMINE-SUBSTITUTED PYRIDINE FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-10-13 | — | — | WO | disclosed |