Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7120694 | 0.81 | VCAM1 (0.39) | VCAM1TDP1ARCYP3A4CA1 | |
| SCHEMBL1967552 | 0.78 | CYP3A4 (0.46) | TDP1ARCYP3A4CA1CA2 | |
| SCHEMBL1124701 | 0.78 | CYP3A4 (0.36) | TDP1CYP3A4ALDH1A1HPGDTRPA1 | |
| SCHEMBL16599241 | 0.77 | AKR1C2 (0.43) | TDP1MAPK1CYP3A4CA1CA2 | |
| SCHEMBL29862788 | 0.76 | TDP1 (0.45) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL277940 | 0.76 | CYP3A4 (0.53) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL29565739 | 0.76 | CYP3A4 (0.53) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL227614 | 0.76 | TDP1 (0.45) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL1966633 | 0.75 | GABRA1 (0.42) | TDP1ARCYP3A4ALDH1A1HPGD | |
| SCHEMBL28575012 | 0.75 | MAPK1 (0.39) | VCAM1TDP1MAPK1ARMRGPRX4 |
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 |