Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL481016 | 0.79 | NPC1 (0.40) | PARP1NPSR1ALDH1A1MAPTGRM5 | |
| SCHEMBL29779956 | 0.79 | GRM5 (0.53) | PARP1ALDH1A1GRM5 | |
| SCHEMBL1375869 | 0.79 | GRM5 (0.53) | PARP1ALDH1A1GRM5 | |
| SCHEMBL27627934 | 0.78 | FFAR1 (0.53) | FFAR1NPSR1ALDH1A1HSP90AA1MAPT | |
| SCHEMBL8000068 | 0.77 | APP (0.57) | ALDH1A1MAPTGRM5PTPN11TP53 | |
| SCHEMBL29825848 | 0.77 | APP (0.57) | ALDH1A1MAPTGRM5PTPN11TP53 | |
| SCHEMBL3155146 | 0.77 | FFAR1 (0.54) | FFAR1ALDH1A1MAPTHTTGRM5 | |
| SCHEMBL2235491 | 0.77 | FFAR1 (0.54) | FFAR1NPSR1ALDH1A1HSP90AA1MAPT | |
| SCHEMBL5380220 | 0.77 | FFAR1 (0.54) | FFAR1NPSR1GRM5VCP | |
| SCHEMBL670363 | 0.77 | CYP2C9 (0.49) | PARP1MAPTHTTGRM5PTPN11 |
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-116675599-A | Novel method for synthesizing phenylpropionic acid | 大连理工大学 | 2023-09-01 | — | — | CN | disclosed |
| CN-107353194-B | Preparation method of propiolic acid compound | 大连理工大学 | 2020-04-14 | — | — | CN | disclosed |
| CN-105481806-A | Synthetic method and application of five-membered ring compound containing sulfone group | UNIV SOUTH CHINA TECH | 2016-04-13 | — | — | CN | disclosed |