Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 4/20 | 0.53 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | POLQ | O75417 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 7/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29072630 | 1.00 | GRM4 (0.53) | GRM4TNIKBRD4POLQCDK8 | |
| SCHEMBL30580382 | 0.86 | SMN1; SMN2 (0.60) | GRM4TNIKBRD4CDK8KDM4E | |
| SCHEMBL29072544 | 0.86 | SMN1; SMN2 (0.60) | GRM4TNIKBRD4CDK8KDM4E | |
| SCHEMBL30580401 | 0.83 | TNIK (0.57) | TNIKBRD4CDK8IMPDH2ROCK2 | |
| SCHEMBL29072546 | 0.83 | TNIK (0.57) | TNIKBRD4CDK8IMPDH2ROCK2 | |
| SCHEMBL30580375 | 0.82 | PIK3C3 (0.55) | TNIKBRD4POLQCDK8IMPDH2 | |
| SCHEMBL29072979 | 0.82 | PIK3C3 (0.55) | TNIKBRD4POLQCDK8IMPDH2 | |
| SCHEMBL30580376 | 0.82 | TNIK (0.54) | TNIKBRD4POLQCDK8IMPDH2 | |
| SCHEMBL29072559 | 0.82 | TNIK (0.54) | TNIKBRD4POLQCDK8IMPDH2 | |
| SCHEMBL29072554 | 0.82 | TNIK (0.54) | TNIKBRD4POLQCDK8IMPDH2 |
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-116768886-A | N- (4- (1H-pyrrolo [2,3-b ] pyridin-5-yl) phenyl) amide derivatives, preparation and use thereof | 安徽医科大学 | 2023-09-19 | — | — | CN | disclosed |