Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15420642 | 0.83 | MMP3 (0.47) | CYP11B1CYP11B2ADORA2AADORA1GRM5 | |
| SCHEMBL30656042 | 0.81 | ADORA2A (0.50) | ADORA2AADORA1GABRA5AKT1GABRG2 | |
| SCHEMBL7213440 | 0.81 | AKT1 (0.56) | CYP11B1CYP11B2ADORA2AADORA1GABRA5 | |
| SCHEMBL15420633 | 0.80 | HPGDS (0.51) | CYP11B1CYP11B2ADORA2AADORA1GRM5 | |
| SCHEMBL15419971 | 0.78 | AR (0.47) | CYP11B1CYP11B2LRRK2 | |
| SCHEMBL3838001 | 0.76 | AKT1 (0.53) | ADORA2AADORA1AKT1ADORA2B | |
| SCHEMBL15420405 | 0.74 | ALDH1A1 (0.49) | — | |
| SCHEMBL2141371 | 0.73 | DHODH (0.45) | ADORA2AADORA1ALOX5APFEN1 | |
| SCHEMBL29739433 | 0.73 | FEN1 (0.51) | ADORA2AADORA1ALOX5APFEN1 | |
| SCHEMBL7935603 | 0.72 | HTT (0.41) | CYP11B1CYP11B2GRM5EGLN2 |
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-1085217-A | 1,4-benzodioxan derivative | MERCK PATENT GMBH (DE) | 1994-04-13 | — | — | CN | disclosed |