Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9551404 | 0.82 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL28564133 | 0.82 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL29796026 | 0.82 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL17649525 | 0.81 | ALDH1A1 (0.35) | CYP3A4TDP1ALDH1A1HPGDGABRA1 | |
| SCHEMBL3550575 | 0.81 | CYP3A4 (0.36) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL10316854 | 0.79 | CYP3A4 (0.47) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL11849090 | 0.77 | CYP3A4 (0.46) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL23213309 | 0.77 | CYP3A4 (0.55) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL29796103 | 0.77 | CYP3A4 (0.55) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL10316539 | 0.76 | CYP3A4 (0.47) | CYP3A4TRPA1TDP1ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113248506-A | Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2021-08-13 | — | — | CN | disclosed |
| CN-107001372-B | Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2021-04-27 | — | — | CN | disclosed |