Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 7/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GLB1 | P16278 | 1/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.30 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.30 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.30 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28026243 | 0.88 | TDP1 (0.38) | TDP1GBA1PYGLGBA2GAA | |
| Tert-Butyl Formate SCHEMBL27819047 | 0.84 | TDP1 (0.39) | TDP1GBA1SLC6A1GABRA5GABRB2 | |
| Tert-Butyl Formate SCHEMBL28106915 | 0.83 | TDP1 (0.45) | TDP1GBA1SLC6A1GABRA5GABRB2 | |
| Tert-Butyl Formate SCHEMBL27784291 | 0.80 | SLC6A1 (0.43) | TDP1SLC6A1GABRA5GABRB2SLC6A12 | |
| Tert-Butyl Formate SCHEMBL27851598 | 0.80 | SLC6A1 (0.43) | TDP1SLC6A1GABRA5GABRB2SLC6A12 | |
| Tert-Butyl Formate SCHEMBL27870144 | 0.80 | SLC6A1 (0.43) | TDP1SLC6A1GABRA5GABRB2SLC6A12 | |
| Tert-Butyl Formate SCHEMBL28796091 | 0.80 | TDP1 (0.36) | TDP1GBA1PYGLGBA2GAA | |
| Tert-Butyl Formate SCHEMBL27848587 | 0.79 | TDP1 (0.41) | TDP1 | |
| SCHEMBL505465 | 0.79 | — | — | |
| SCHEMBL505753 | 0.79 | — | — |
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-106103445-B | The therapeutical uses of pyrazolo [1,5-A] pyrimidine -5,7- diamine compound and they as CDK inhibitor | 癌症研究技术有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-106103445-A | Pyrazolo [1,5 A] pyrimidine 5,7 diamine compound and their therapeutic use as CDK inhibitor | 癌症研究技术有限公司 | 2016-11-09 | — | — | CN | disclosed |