Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 4/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.30 |
| ▸ | PTGDR | Q13258 | 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 | |
|---|---|---|---|---|
| SCHEMBL161475 | 0.80 | ROCK2 (0.43) | ROCK2 | |
| SCHEMBL1013646 | 0.79 | ROCK2 (0.47) | ROCK2PTPN5PTPN2RXFP1EPHX2 | |
| SCHEMBL29470914 | 0.79 | ROCK2 (0.47) | ROCK2PTPN5PTPN2RXFP1EPHX2 | |
| SCHEMBL21044754 | 0.79 | ROCK2 (0.43) | ROCK2 | |
| SCHEMBL19643363 | 0.77 | CA1 (0.36) | PTPN5PTPN2PTGDR2PTGDR | |
| SCHEMBL28167754 | 0.75 | ABCB1 (0.42) | PTPN5PTPN2PTGDR2 | |
| SCHEMBL27679150 | 0.73 | PTPN5 (0.44) | PTPN5PTPN2NPSR1PTGDR2 | |
| SCHEMBL28213747 | 0.73 | ROCK2 (0.45) | ROCK2EPHX2APP | |
| SCHEMBL17868244 | 0.72 | ROCK2 (0.40) | ROCK2 | |
| SCHEMBL28796938 | 0.72 | ROCK2 (0.36) | ROCK2APP |
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-104478865-B | For the substituted pyrimidine for the disease for treating such as cancer | 勃林格殷格翰国际有限公司 | 2017-09-22 | — | — | CN | disclosed |
| CN-104478865-A | Substituted pyrimidines for the treatment of diseases such as cancer | BOEHRINGER INGELHEIM INT | 2015-04-01 | — | — | CN | disclosed |