Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | CKS1B | P61024 | 1/20 | 0.32 |
| ▸ | SKP1 | P63208 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650381 | 0.84 | ROCK2 (0.38) | KDM4DGPR119USP30ROCK2 | |
| SCHEMBL22650346 | 0.81 | ROCK2 (0.37) | AAK1JAK2JAK1JAK3KDM4D | |
| SCHEMBL15197532 | 0.79 | RET (0.53) | PDK2RETAAK1PDE10AMAP4K4 | |
| SCHEMBL595584 | 0.78 | AAK1 (0.47) | PDK2RETAAK1PDE10AMAP4K4 | |
| SCHEMBL22650386 | 0.78 | MAP4K4 (0.44) | PDE10AMAP4K4JAK3DDB1CRBN | |
| SCHEMBL529747 | 0.77 | AAK1 (0.54) | PDK2RETAAK1PDE10AMAP4K4 | |
| SCHEMBL2236554 | 0.77 | AAK1 (0.54) | PDK2RETAAK1PDE10AMAP4K4 | |
| SCHEMBL12265185 | 0.77 | AAK1 (0.54) | PDK2RETAAK1PDE10AMAP4K4 | |
| SCHEMBL29418458 | 0.76 | KDM4D (0.38) | KDM4DGPR119 | |
| SCHEMBL30599761 | 0.76 | KDM4D (0.38) | KDM4DGPR119 |
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-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |