Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 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 | |
|---|---|---|---|---|
| SCHEMBL5441798 | 0.75 | NOS2 (0.37) | NOS2USP2KDM4EHSP90AB1MAPK1 | |
| SCHEMBL1818321 | 0.67 | NPC1 (0.44) | NOS2MAPTTDP1KDM4ENPC1 | |
| SCHEMBL5259760 | 0.67 | NOS2 (0.52) | NOS2USP2TSHRKDM4EHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL7201308 | 0.67 | PIK3CG (0.40) | USP2PDE10APDE4APDE4BPDE4C | |
| SCHEMBL30988 | 0.67 | MAPT (0.38) | MAPTTSHRTDP1KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL461580 | 0.66 | NPC1 (0.42) | NOS2MAPTTDP1KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL28072387 | 0.66 | NOS2 (0.50) | NOS2USP2TSHRKDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL8156881 | 0.66 | NPC1 (0.42) | NOS2MAPTTDP1KDM4ENPC1 | |
| Bromide SCHEMBL28072273 | 0.66 | NOS2 (0.50) | NOS2USP2TSHRKDM4EHSD17B10 | |
| SCHEMBL30986 | 0.66 | SMN1; SMN2 (0.36) | NOS2MAPTTSHRTDP1KDM4E |
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-2023125112-A1 | ANTAGONIST COMPOSITION AND APPLICATION THEREOF IN PREPARATION OF DRUG FOR TREATMENT OF SLEEP DISORDERS WITH CO-MORBID PSYCHIATRIC DISORDERS | 中国科学院深圳先进技术研究院 | 2023-07-06 | — | — | WO | claimed |