Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | VCP | P55072 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27764812 | 0.87 | KIF11 (0.52) | NOS3NOS2HDAC1ABL1BCR | |
| SCHEMBL28726704 | 0.84 | NOS3 (0.48) | NOS3NOS2KDM4EALDH1A1HDAC1 | |
| SCHEMBL19625365 | 0.82 | MAP4K4 (0.45) | MAP4K4KDM4ETGFBR1MAPTMEN1 | |
| SCHEMBL1040575 | 0.82 | KIF11 (0.47) | ALOX5HDAC1ABL1BCRTGFBR1 | |
| SCHEMBL31375591 | 0.82 | ABL1 (0.49) | NOS3NOS2HDAC1ABL1BCR | |
| SCHEMBL24168950 | 0.82 | NOS3 (0.56) | NOS3NOS2HDAC1ABL1BCR | |
| SCHEMBL17412625 | 0.82 | KIF11 (0.52) | NOS3NOS2KDM4EALDH1A1HPGD | |
| SCHEMBL2625107 | 0.81 | ASIC3 (0.53) | NOS3NOS2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL30767604 | 0.81 | HDAC1 (0.43) | NOS3NOS2HDAC1ABL1BCR | |
| SCHEMBL810884 | 0.80 | NOS3 (0.61) | NOS3NOS2ALDH1A1ABL1BCR |
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 |
|---|---|---|---|---|---|---|---|
| CN-110156668-B | Method for synthesizing 4-polyfluoroalkyl-2, 6-diaryl substituted pyridine compound | 福州大学 | 2022-04-26 | — | — | CN | disclosed |