Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28057562 | 0.85 | CYP11B1 (0.55) | CYP11B1CYP11B2ALDH1A1SMN1; SMN2 | |
| SCHEMBL28057471 | 0.84 | CYP11B1 (0.44) | CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2 | |
| SCHEMBL8954196 | 0.82 | CYP11B1 (0.53) | CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2 | |
| SCHEMBL8346595 | 0.80 | CYP11B1 (0.62) | CYP11B1CYP11B2 | |
| SCHEMBL8437831 | 0.79 | CYP11B1 (0.61) | CYP11B1CYP11B2 | |
| SCHEMBL16304448 | 0.77 | CYP11B1 (0.66) | CYP11B1CYP11B2KDM4EALDH1A1IDO1 | |
| Hydrochloric Acid SCHEMBL8437074 | 0.75 | ALDH1A1 (0.49) | CYP11B1CYP11B2ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL28057475 | 0.74 | CCR9 (0.42) | KDM4EALDH1A1MAOB | |
| SCHEMBL7263769 | 0.74 | CYP11B1 (0.42) | CYP11B1CYP11B2 | |
| SCHEMBL15654239 | 0.73 | CCR9 (0.47) | CYP11B1CYP11B2KDM4EALDH1A1IDO1 |
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-105431416-A | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | KAKEN PHARMA CO LTD | 2016-03-23 | — | — | CN | disclosed |