Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 1.00 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | DHFR | P00374 | 1/20 | 0.53 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27400918 | 0.84 | ADORA2A (0.71) | ADORA2ANUDT1ALDH1A1CYP1A2HPGD | |
| SCHEMBL3042514 | 0.83 | ADORA2A (0.70) | ADORA2ANUDT1ALDH1A1CYP1A2HPGD | |
| SCHEMBL26104478 | 0.83 | ADORA2A (0.70) | ADORA2ANUDT1ALDH1A1CYP1A2HPGD | |
| Hydrochloric Acid SCHEMBL10584167 | 0.82 | ADORA2A (0.69) | ADORA2ANUDT1ALDH1A1CYP1A2HPGD | |
| SCHEMBL19054771 | 0.81 | ADORA2A (0.68) | ADORA2AALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL28259419 | 0.81 | ADORA2A (0.68) | ADORA2AALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL25873120 | 0.79 | ADORA2A (0.66) | ADORA2AALDH1A1CYP1A2HSD17B10ACHE | |
| SCHEMBL7799233 | 0.77 | ADORA2A (0.62) | ADORA2ADHFRACHE | |
| SCHEMBL421987 | 0.76 | ADORA2A (1.00) | ADORA2ANUDT1ALDH1A1CYP1A2HPGD | |
| SCHEMBL28165137 | 0.76 | ADORA2A (0.64) | ADORA2ANUDT1ALDH1A1CYP1A2HPGD |
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-1033380-A | Compound | SMITHKLINE BECKMAN INTERCREDIT (NL) | 1989-06-14 | — | — | CN | disclosed |