Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL30294157 | 1.00 | KDR (0.46) | KDRABL1HTTCSNK1A1CLK4 | |
| SCHEMBL30868505 | 0.83 | HTT (0.46) | KDRABL1HTTCSNK1A1CLK4 | |
| SCHEMBL338485 | 0.83 | HTT (0.46) | KDRABL1HTTCSNK1A1CLK4 | |
| SCHEMBL16668748 | 0.80 | CSNK1A1 (0.45) | KDRABL1HTTCSNK1A1CLK4 | |
| SCHEMBL30907634 | 0.80 | PDPK1 (0.40) | KDRABL1HTTCSNK1A1CLK4 | |
| SCHEMBL1457800 | 0.78 | CSNK1A1 (0.44) | KDRABL1HTTCSNK1A1CLK4 | |
| SCHEMBL30971228 | 0.78 | CSNK1A1 (0.44) | KDRABL1HTTCSNK1A1CLK4 | |
| SCHEMBL14932489 | 0.75 | UHRF1 (0.39) | KDRABL1HTTCSNK1A1CLK4 | |
| SCHEMBL31512102 | 0.75 | CYP11B1 (0.44) | CSNK1A1CLK4ADORA2AADORA1NPC1 | |
| SCHEMBL21011621 | 0.75 | CSNK1A1 (0.41) | KDRABL1HTTCSNK1A1CLK4 |
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-110072865-B | Pyrrolo-aromatic heterocyclic compounds, preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2022-02-11 | — | — | CN | disclosed |