Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9685314 | 0.84 | ESR2 (0.44) | LRRK2ARADORA2AADORA1TSHR | |
| SCHEMBL29662936 | 0.82 | ESR2 (0.53) | ARTSHRESR2GABRG2GABRB3 | |
| SCHEMBL28133054 | 0.82 | ESR2 (0.53) | ARTSHRESR2GABRG2GABRB3 | |
| SCHEMBL16871690 | 0.81 | ALDH1A1 (0.43) | LRRK2ADORA2AADORA1TSHRKMT2A | |
| SCHEMBL27930441 | 0.80 | ESR2 (0.47) | ARTSHRESR2ALDH1A1KDM4E | |
| SCHEMBL29642877 | 0.80 | AR (0.42) | LRRK2ARTSHRESR2GABRG2 | |
| SCHEMBL17940720 | 0.80 | AR (0.42) | LRRK2ARTSHRESR2GABRG2 | |
| SCHEMBL27693511 | 0.78 | ESR2 (0.48) | LRRK2ADORA2AADORA1TSHRKMT2A | |
| SCHEMBL21036109 | 0.76 | ADRA2C (0.53) | LRRK2ADORA2AADORA1KMT2AMEN1 | |
| SCHEMBL2944534 | 0.76 | CD44 (0.46) | LRRK2ADORA2AADORA1TSHRKMT2A |
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-105820122-A | Organic electroluminescent material and device | 环球展览公司 | 2016-08-03 | — | — | CN | disclosed |