Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 2/20 | 0.30 |
| ▸ | ALB | P02768 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 2/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28912552 | 0.87 | MAPK1 (0.34) | MAPK1TDP1VCAM1GABRA1GABRB2 | |
| SCHEMBL4009416 | 0.79 | GABRA1 (0.34) | VCAM1GABRA1GABRB2GPR35TTR | |
| SCHEMBL1019709 | 0.78 | MAPK1 (0.45) | MAPK1TDP1GABRA1GABRB2MEN1 | |
| SCHEMBL5206535 | 0.76 | MAPK1 (0.59) | MAPK1TDP1GABRA1GABRB2 | |
| SCHEMBL28560711 | 0.75 | VCAM1 (0.32) | VCAM1GABRA1GABRB2TTRALB | |
| SCHEMBL28566732 | 0.75 | VCAM1 (0.42) | MAPK1TDP1VCAM1ARHSD11B1 | |
| SCHEMBL1950823 | 0.74 | MAPK1 (0.42) | MAPK1TDP1GABRA1GABRB2 | |
| SCHEMBL6330610 | 0.74 | MAPK1 (0.42) | MAPK1TDP1GABRA1GABRB2 | |
| SCHEMBL11322087 | 0.74 | GABRA1 (0.42) | MAPK1TDP1GABRA1GABRB2GPR35 | |
| SCHEMBL8641955 | 0.73 | MAPK1 (0.50) | MAPK1TDP1GABRA1GABRB2 |
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 |