Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Safingol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.46 |
| ▸ | ADORA2B known ✓ | P29275 | 2/20 | 0.46 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.46 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.46 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | SLC28A1 | O00337 | 1/20 | 0.46 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.46 |
| ▸ | SLC28A2 | O43868 | 1/20 | 0.46 |
| ▸ | GAPDH | P04406 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | STAT6 | P42226 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.46 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.46 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Riboprine SCHEMBL28121660 | 0.90 | SLC29A1 (0.46) | DOT1LSLC29A1RXFP1 | |
| Riboprine SCHEMBL28250734 | 0.82 | SLC29A1 (0.39) | ADORA2AADORA3ADORA1DOT1LSLC29A1 | |
| Riboprine SCHEMBL28124720 | 0.82 | SLC29A1 (0.39) | ADORA2AADORA3ADORA1DOT1LSLC29A1 | |
| Safingol SCHEMBL28069970 | 0.79 | CYP19A1 (0.62) | — | |
| Safingol SCHEMBL28140538 | 0.78 | CYP19A1 (0.61) | — | |
| Riboprine SCHEMBL7096367 | 0.76 | TP53 (0.53) | ADORA2AADORA3ADORA1SLC29A1RXFP1 | |
| Adenosine SCHEMBL9697455 | 0.73 | ADORA3 (0.87) | EHMT1KMT2AADORA2AADORA2BADORA3 | |
| Adenosine SCHEMBL9812519 | 0.71 | ADORA3 (0.78) | EHMT1KMT2AADORA2AADORA2BADORA3 | |
| Adenosine SCHEMBL28912902 | 0.69 | ADORA3 (0.93) | EHMT1KMT2AADORA2AADORA2BADORA3 | |
| Adenosine SCHEMBL6687847 | 0.69 | ADORA3 (0.97) | EHMT1KMT2AADORA2AADORA2BADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110199018-A | CHIMERIC POXVIRUS COMPOSITIONS AND USES THEREOF | 希望之城 | 2019-09-03 | — | — | CN | disclosed |
| CN-109600989-A | Modified release formulation of 2- [3- [ 4-amino-3- (2-fluoro-4-phenoxy-phenyl) pyrazolo [3,4-d ] pyrimidin-1-yl ] piperidine-1-carbonyl ] -4-methyl-4- [4- (oxetan-3-yl) piperazin-1-yl ] pent-2-enenitrile | 普林斯匹亚生物制药公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-107849102-A | Chimeric antigen receptor compositions | 希望之城 | 2018-03-27 | — | — | CN | disclosed |