Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ADA | P00813 | 2/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29287914 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL29211975 | 0.96 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL29211972 | 0.96 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AALDH1A1ADA | |
| SCHEMBL28977844 | 0.91 | CYP3A4 (0.61) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL28900524 | 0.86 | CYP3A4 (0.61) | CYP3A4CYP2D6ADORA2A | |
| SCHEMBL30931874 | 0.82 | CYP3A4 (0.67) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL30931891 | 0.82 | CYP3A4 (0.67) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL29211966 | 0.82 | CYP3A4 (0.67) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL29211967 | 0.82 | CYP3A4 (0.67) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL28977841 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 |
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-109320553-A | Novel nucleoside reverse transcriptase inhibitors for antiviral use | 深圳市塔吉瑞生物医药有限公司 | 2019-02-12 | — | — | CN | disclosed |