Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 3/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | RORA | P35398 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28571070 | 0.86 | MCL1 (0.38) | ALDH1A1KDM4EGLAGAAMAOA | |
| SCHEMBL28562707 | 0.85 | KIF11 (0.39) | ALDH1A1KDM4EGLAGAASERPINE1 | |
| SCHEMBL21840875 | 0.85 | KIF11 (0.37) | ALDH1A1KDM4ESERPINE1KIF11NPSR1 | |
| SCHEMBL22104619 | 0.81 | ABCG2 (0.35) | ALDH1A1KDM4ENPSR1HPGDGABRA1 | |
| SCHEMBL23348409 | 0.81 | KIF11 (0.34) | ALDH1A1KDM4EGAASERPINE1KIF11 | |
| SCHEMBL28581529 | 0.81 | ALDH1A1 (0.39) | ALDH1A1KDM4EGAAKIF11NPSR1 | |
| SCHEMBL28568120 | 0.81 | ALDH1A1 (0.36) | ALDH1A1KDM4EGLAGAASERPINE1 | |
| SCHEMBL10029985 | 0.80 | SERPINE1 (0.38) | ALDH1A1SERPINE1KIF11NPSR1DNMT1 | |
| SCHEMBL22736976 | 0.80 | GABRA1 (0.39) | ALDH1A1KDM4EGLAGAASERPINE1 | |
| SCHEMBL23348411 | 0.80 | KIF11 (0.36) | SERPINE1KIF11DNMT1PGRRORA |
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 |