Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KLK1 | P06870 | 1/20 | 0.51 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28543736 | 0.79 | NPC1 (0.65) | PKMGAADDAH1NPC1RAB9A | |
| SCHEMBL30619961 | 0.79 | NPC1 (0.65) | PKMGAADDAH1NPC1RAB9A | |
| SCHEMBL10371770 | 0.78 | KLK1 (0.68) | PKMGAADDAH1NPC1RAB9A | |
| SCHEMBL31298007 | 0.77 | PKM (0.96) | PKMGAADDAH1NPC1RAB9A | |
| SCHEMBL336412 | 0.77 | PKM (0.96) | PKMGAADDAH1NPC1RAB9A | |
| SCHEMBL31734838 | 0.77 | PKM (0.71) | PKMGAADDAH1NPC1RAB9A | |
| SCHEMBL711507 | 0.77 | PKM (0.71) | PKMGAADDAH1NPC1RAB9A | |
| SCHEMBL8260645 | 0.76 | PKM (0.66) | PKMGAADDAH1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL30689215 | 0.76 | PKM (1.00) | PKMGAADDAH1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL5973175 | 0.76 | PKM (1.00) | PKMGAADDAH1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017177979-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE | 中国科学院上海有机化学研究所 | 2017-10-19 | — | — | WO | disclosed |