Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14484019 | 0.86 | NR3C1 (0.54) | ALDH1A1SMN1; SMN2POLBNR3C1PGR | |
| SCHEMBL28111698 | 0.83 | KEAP1 (0.58) | ALDH1A1SMN1; SMN2POLBNR3C1PGR | |
| SCHEMBL245468 | 0.77 | MEN1 (0.60) | ALDH1A1SMN1; SMN2POLBKEAP1HSD17B1 | |
| SCHEMBL28111669 | 0.73 | ADRA2C (0.52) | ALDH1A1SMN1; SMN2POLBNR3C1PGR | |
| SCHEMBL10100499 | 0.73 | KEAP1 (0.55) | ALDH1A1SMN1; SMN2POLBNR3C1KEAP1 | |
| SCHEMBL13139256 | 0.73 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2POLBNR3C1KEAP1 | |
| SCHEMBL7108854 | 0.73 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2POLBNR3C1KEAP1 | |
| SCHEMBL14677796 | 0.72 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2POLBKEAP1HSD17B1 | |
| SCHEMBL698855 | 0.72 | KEAP1 (0.70) | ALDH1A1SMN1; SMN2POLBNR3C1NR3C2 | |
| SCHEMBL11420225 | 0.72 | ADRB3 (0.61) | ALDH1A1SMN1; SMN2POLBKEAP1ADRA2C |
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-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |