Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AXL | P30530 | 2/20 | 0.58 |
| ▸ | PRKCI | P41743 | 2/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.38 |
| ▸ | JAK2 | O60674 | 3/20 | 0.37 |
| ▸ | CCNK | O75909 | 2/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.36 |
| ▸ | JAK1 | P23458 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30173284 | 1.00 | AXL (0.58) | AXLPRKCIROCK1NUDT1JAK2 | |
| SCHEMBL30173287 | 1.00 | AXL (0.58) | AXLPRKCIROCK1NUDT1JAK2 | |
| SCHEMBL10125092 | 0.81 | PRKCI (0.51) | AXLPRKCIROCK1JAK2CCNK | |
| SCHEMBL31690444 | 0.77 | AURKB (0.53) | AXLPRKCIROCK1NUDT1JAK2 | |
| SCHEMBL4791894 | 0.77 | AURKB (0.53) | AXLPRKCIROCK1NUDT1JAK2 | |
| SCHEMBL28603796 | 0.77 | PRKCI (0.50) | AXLPRKCIROCK1NUDT1JAK2 | |
| SCHEMBL30173289 | 0.77 | PRKCI (0.50) | AXLPRKCIROCK1NUDT1JAK2 | |
| SCHEMBL30173316 | 0.76 | AXL (0.61) | AXLPRKCIROCK1NUDT1JAK2 | |
| SCHEMBL28609163 | 0.76 | AXL (0.61) | AXLPRKCIROCK1NUDT1JAK2 | |
| SCHEMBL30173282 | 0.75 | CLK1 (0.47) | AXLPRKCIROCK1NUDT1AURKA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113200983-B | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2023-01-03 | — | — | CN | disclosed |
| CN-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2021-08-03 | — | — | CN | disclosed |