Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | FLT1 | P17948 | 1/20 | 0.51 |
| ▸ | FLT4 | P35916 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4619519 | 0.72 | PTGS2 (0.72) | PTGS2CES2CES1MAPTHTT | |
| SCHEMBL28555938 | 0.72 | CES2 (0.65) | L3MBTL1FLT1FLT4KDRPTGS2 | |
| SCHEMBL8794271 | 0.71 | ALDH1A1 (0.53) | MAPTHTTNPC1RAB9AALDH1A1 | |
| SCHEMBL27531421 | 0.71 | HDAC3 (0.50) | L3MBTL1PTGS2CES2CES1MAPT | |
| Chlorobenzene SCHEMBL28816973 | 0.70 | NPC1 (0.61) | L3MBTL1FLT1FLT4KDRPTGS2 | |
| SCHEMBL11700905 | 0.70 | MAPT (0.49) | L3MBTL1FLT1FLT4KDRCES2 | |
| SCHEMBL13522883 | 0.70 | MEN1 (0.51) | PTGS2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL197003 | 0.69 | MEN1 (0.73) | PTGS2MAPTNPC1RAB9AALDH1A1 | |
| Benzoic Acid SCHEMBL31501033 | 0.69 | CA2 (0.59) | L3MBTL1FLT1FLT4KDRPTGS2 | |
| Iodide SCHEMBL30758572 | 0.68 | MEN1 (0.71) | PTGS2MAPTNPC1RAB9AALDH1A1 |
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-107245023-B | A kind of selectivity deoxofluorination reagent and method | 中国科学院上海有机化学研究所 | 2019-08-16 | — | — | CN | disclosed |