Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 14/20 | 0.43 |
| ▸ | KLK1 | P06870 | 13/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28294520 | 0.88 | KLKB1 (0.45) | KLKB1KLK1NPC1POLBGAA | |
| SCHEMBL28294637 | 0.74 | ALDH1A1 (0.47) | NPC1GAARAB9A | |
| SCHEMBL28294516 | 0.74 | KLKB1 (0.47) | KLKB1KLK1NPC1POLBGAA | |
| SCHEMBL28271026 | 0.73 | DRD2 (0.63) | KLKB1KLK1NPC1RAB9ADRD2 | |
| SCHEMBL28844196 | 0.73 | KDM4E (0.51) | KLKB1POLBRAB9A | |
| SCHEMBL28296207 | 0.71 | NPC1 (0.44) | KLKB1KLK1NPC1POLBGAA | |
| SCHEMBL28146103 | 0.70 | RAB9A (0.51) | KLKB1KLK1NPC1POLBGAA | |
| SCHEMBL22221787 | 0.69 | RAB9A (0.69) | NPC1POLBGAARAB9A | |
| SCHEMBL256698 | 0.67 | — | — | |
| SCHEMBL27996204 | 0.66 | GFER (0.70) | KLKB1KLK1NPC1POLBGAA |
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 |