Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28424749 | 0.94 | CYP11B1 (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL30311704 | 0.94 | CYP11B1 (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21116902 | 0.94 | CYP11B1 (0.42) | CYP11B2CYP11B1ALDH1A1LMNAHPGD | |
| SCHEMBL21116880 | 0.94 | MAP4K4 (0.39) | CYP11B2CYP11B1MAP4K4 | |
| SCHEMBL21116882 | 0.93 | RORC (0.40) | MAP4K4 | |
| SCHEMBL17935058 | 0.92 | ALDH1A1 (0.36) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL20114675 | 0.92 | ABCG2 (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21116546 | 0.90 | TSPO (0.40) | CYP11B2CYP11B1ALDH1A1LMNAHPGD | |
| SCHEMBL17934864 | 0.89 | KDM4E (0.42) | CYP11B2CYP11B1ALDH1A1LMNAHPGD | |
| SCHEMBL23348550 | 0.89 | ALDH1A1 (0.40) | CYP11B2CYP11B1ALDH1A1LMNAHPGD |
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-112638874-A | Benzonitrile derivative, light-emitting material, and light-emitting element using the same | 国立大学法人九州大学 | 2021-04-09 | — | — | CN | disclosed |