Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | P4HB | P07237 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28892447 | 1.00 | CLK1 (0.38) | CLK1DYRK1ALOXL2TNFHTR2A | |
| SCHEMBL28892311 | 0.82 | TNF (0.39) | CLK1DYRK1ALOXL2TNFHTR2A | |
| SCHEMBL30002436 | 0.79 | KDM4E (0.37) | LOXL2TNFMAPTHIPK2KDM4E | |
| SCHEMBL28892698 | 0.79 | KDM4E (0.37) | LOXL2TNFMAPTHIPK2KDM4E | |
| SCHEMBL30709993 | 0.76 | IMPDH2 (0.43) | CLK1DYRK1ALOXL2TNFHTR2A | |
| SCHEMBL15058583 | 0.76 | IMPDH2 (0.43) | CLK1DYRK1ALOXL2TNFHTR2A | |
| SCHEMBL28892536 | 0.75 | LOXL2 (0.35) | DYRK1ALOXL2KDM4EACHE | |
| SCHEMBL30001957 | 0.75 | LOXL2 (0.35) | DYRK1ALOXL2KDM4EACHE | |
| SCHEMBL22094381 | 0.75 | CLK1 (0.43) | CLK1DYRK1ALOXL2TNFHTR2A | |
| SCHEMBL30308307 | 0.75 | CLK1 (0.43) | CLK1DYRK1ALOXL2TNFHTR2A |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |