Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 12/20 | 0.41 |
| ▸ | KLK1 | P06870 | 10/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28294516 | 0.77 | KLKB1 (0.47) | NPC1RAB9APOLBGAAKLKB1 | |
| SCHEMBL28146103 | 0.73 | RAB9A (0.51) | NPC1RAB9APOLBGAAKLKB1 | |
| SCHEMBL22221787 | 0.72 | RAB9A (0.69) | NPC1RAB9APOLBGAAGFER | |
| SCHEMBL28296211 | 0.71 | KLKB1 (0.43) | NPC1RAB9APOLBGAAKLKB1 | |
| SCHEMBL28294520 | 0.69 | KLKB1 (0.45) | NPC1RAB9APOLBGAAKLKB1 | |
| SCHEMBL28333414 | 0.69 | LOXL2 (0.47) | NPC1RAB9APOLBGAAKLKB1 | |
| SCHEMBL28334232 | 0.69 | RAB9A (0.42) | NPC1RAB9APOLBGAAKLKB1 | |
| SCHEMBL27996204 | 0.69 | GFER (0.70) | NPC1RAB9APOLBGAAKLKB1 | |
| SCHEMBL28220130 | 0.67 | GFER (0.66) | NPC1RAB9APOLBGAAKLKB1 | |
| SCHEMBL28938187 | 0.64 | LMNA (0.52) | NPC1RAB9APOLBGAAKLKB1 |
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-106608872-B | 5- pyrazol acid amide compounds and the preparation method and application thereof | 湖南化工研究院有限公司 | 2019-04-19 | — | — | CN | disclosed |