Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.70 |
| ▸ | RAB9A | P51151 | 9/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.70 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.70 |
| ▸ | RELA | Q04206 | 5/20 | 0.70 |
| ▸ | TP53 | P04637 | 4/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.70 |
| ▸ | HTT | P42858 | 3/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | PTGES | O14684 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | ATM | Q13315 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.59 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.59 |
| ▸ | PTPRC | P08575 | 1/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4772451 | 0.84 | TP53 (0.53) | NPC1RAB9ANFKB1NFKB2RELA | |
| Trifluoroacetic Acid SCHEMBL4765765 | 0.81 | TP53 (0.50) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL1381507 | 0.80 | NPC1 (0.52) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL15809170 | 0.80 | PTGES (1.00) | PTGES | |
| Hydrochloric Acid SCHEMBL15808816 | 0.80 | PTGES (0.98) | PTGES | |
| SCHEMBL9138988 | 0.80 | NPC1 (0.71) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL9139676 | 0.80 | NPC1 (0.71) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL8516647 | 0.80 | NPC1 (0.71) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL8516472 | 0.77 | NPC1 (0.67) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL28713739 | 0.77 | NPC1 (0.65) | NPC1RAB9ANFKB1NFKB2RELA |
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-108863892-B | Gallic acid methyl ester analogue containing amide structure and application thereof | 温州医科大学 | 2022-04-05 | — | — | CN | disclosed |