Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28566853 | 0.82 | CYP3A4 (0.46) | CYP3A4TRPA1HPGDALDH1A1TDP1 | |
| SCHEMBL27985693 | 0.82 | CYP3A4 (0.61) | CYP3A4TRPA1HPGDALDH1A1TDP1 | |
| SCHEMBL17650560 | 0.79 | ALDH1A1 (0.37) | CYP3A4HPGDALDH1A1TDP1GABRA1 | |
| SCHEMBL162877 | 0.78 | CYP3A4 (0.40) | CYP3A4TRPA1HPGDALDH1A1TDP1 | |
| SCHEMBL30438482 | 0.78 | CYP3A4 (0.40) | CYP3A4TRPA1HPGDALDH1A1TDP1 | |
| SCHEMBL28554406 | 0.75 | TDP1 (0.44) | CYP3A4TRPA1HPGDALDH1A1TDP1 | |
| SCHEMBL27699035 | 0.75 | CYP3A4 (0.56) | CYP3A4TRPA1HPGDALDH1A1TDP1 | |
| SCHEMBL29606267 | 0.74 | CYP3A4 (0.61) | CYP3A4TRPA1HPGDALDH1A1TDP1 | |
| SCHEMBL11608345 | 0.74 | CYP3A4 (0.61) | CYP3A4TRPA1HPGDALDH1A1TDP1 | |
| SCHEMBL1022418 | 0.73 | CYP3A4 (0.63) | CYP3A4TRPA1HPGDALDH1A1TDP1 |
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 |