Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 2/20 | 0.47 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 8/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | UBE2N | P61088 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL12073695 | 0.72 | S1PR2 (0.46) | S1PR2NOS2NOS3NOS1KDM4E | |
| SCHEMBL18314725 | 0.70 | NOS2 (0.48) | NOS2NOS3NOS1IKBKB | |
| SCHEMBL18310645 | 0.65 | NOS2 (0.43) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL18310670 | 0.65 | NOS2 (0.43) | NOS2NOS3NOS1IKBKB | |
| SCHEMBL21183232 | 0.64 | DYRK1A (0.38) | PDE5AKDM4EALDH1A1GAABCDIN3D | |
| SCHEMBL4841951 | 0.64 | DHFR (0.36) | KDM4EALDH1A1GAABCDIN3DPDE10A | |
| SCHEMBL423531 | 0.63 | MEN1 (0.60) | S1PR2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL17229299 | 0.62 | NOS2 (0.44) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL8142879 | 0.62 | HRH4 (0.37) | PDE5AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL23369560 | 0.62 | ADORA2A (0.40) | NOS2NOS3NOS1KDM4EALDH1A1 |
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-2023283921-A1 | DPD INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 北京深蓝泰医药科技有限公司 | 2023-01-19 | — | — | WO | disclosed |