Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL31258328 | 0.80 | ADORA2A (0.49) | ADORA2AADORA1SQORALDH1A1HPGD | |
| SCHEMBL27948294 | 0.76 | ALDH1A1 (0.44) | ADORA2AADORA1BACE1ALOX5ALDH1A1 | |
| SCHEMBL27750838 | 0.74 | PDE4B (0.38) | ADORA2AADORA1SQORBACE1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28673690 | 0.73 | ADORA2A (0.38) | ADORA2AADORA1SQORALDH1A1HPGD | |
| SCHEMBL28376546 | 0.72 | ADORA2A (0.49) | ADORA2AADORA1KDR | |
| SCHEMBL28708766 | 0.72 | BACE1 (0.44) | ADORA2AADORA1SQORBACE1ALOX5 | |
| SCHEMBL28003004 | 0.71 | KDR (0.40) | ADORA2AADORA1SQORBACE1ALDH1A1 | |
| SCHEMBL29766669 | 0.71 | ADORA2A (0.47) | ADORA2AADORA1SQORALDH1A1HPGD | |
| SCHEMBL150217 | 0.71 | ADORA2A (0.47) | ADORA2AADORA1SQORALDH1A1HPGD | |
| SCHEMBL2639175 | 0.70 | PNMT (0.45) | ADORA2AADORA1SQORBACE1ALOX5 |
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-110249442-B | Compound (I) | 学校法人关西学院 | 2022-11-22 | — | — | CN | disclosed |