Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17847315 | 0.89 | CRHR1 (0.43) | CRHR1NPC1RAB9ARPS6KB1GSK3B | |
| SCHEMBL13432210 | 0.77 | CRHR1 (0.38) | CRHR1NPC1RAB9AKDM2BPDE10A | |
| SCHEMBL15515100 | 0.77 | CRHR1 (0.35) | CRHR1NPC1RAB9APIK3CDPIK3CA | |
| SCHEMBL3389492 | 0.77 | ALDH1A1 (0.50) | CRHR1NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL19279762 | 0.77 | HTR7 (0.38) | CRHR1NPC1RAB9AGRM2KDM2B | |
| SCHEMBL3384042 | 0.77 | CRHR1 (0.38) | CRHR1NPC1RAB9AGRM2KDM2B | |
| SCHEMBL17678027 | 0.77 | CRHR1 (0.38) | CRHR1NPC1RAB9AKDM2BALDH1A1 | |
| SCHEMBL30995477 | 0.77 | CRHR1 (0.42) | CRHR1GRM2PIK3CDPIK3CAPIK3CB | |
| SCHEMBL20364209 | 0.77 | PIK3CD (0.42) | CRHR1NPC1RAB9AALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL3899227 | 0.76 | CRHR1 (0.48) | CRHR1 |
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-108026072-A | Substituted oxopyridine derivatives | 拜耳制药股份公司 | 2018-05-11 | — | — | CN | disclosed |