Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.47 |
| ▸ | NOS2 | P35228 | 4/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TKT | P29401 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6186538 | 0.77 | — | — | |
| SCHEMBL3078836 | 0.76 | NOS3 (0.50) | NOS3NOS2NOS1NAPRTMAP4K4 | |
| SCHEMBL21312027 | 0.74 | — | — | |
| SCHEMBL19518786 | 0.72 | — | — | |
| SCHEMBL3074012 | 0.72 | NOS3 (0.47) | NOS3NOS2NOS1NAPRTMAP4K4 | |
| SCHEMBL25838590 | 0.72 | ALDH1A1 (0.47) | NOS3NOS2NOS1KDM4EALDH1A1 | |
| SCHEMBL18485272 | 0.72 | NOS3 (0.47) | NOS3NOS2NOS1NAPRTMAP4K4 | |
| SCHEMBL27172008 | 0.71 | NOS3 (0.41) | NOS3NOS2NOS1NAPRTMAP4K4 | |
| SCHEMBL21446939 | 0.70 | MEN1 (0.54) | ALDH1A1SMN1; SMN2HPGDHSD17B10MEN1 | |
| SCHEMBL15616431 | 0.69 | PDE5A (0.50) | NOS3NOS2NOS1NAPRTKDM4E |
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-2023134582-A1 | PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF | 上海立森印迹医药技术有限公司 | 2023-07-20 | — | — | WO | disclosed |