Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.30 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL29485075 | 1.00 | NPSR1 (0.44) | NPSR1ROCK2MEN1KMT2AGAA | |
| SCHEMBL1936383 | 0.81 | ROCK2 (0.43) | NPSR1ROCK2LMNAALDH1A1 | |
| SCHEMBL29933139 | 0.81 | NPSR1 (0.43) | NPSR1ROCK2MEN1KMT2AGAA | |
| SCHEMBL19643364 | 0.77 | NPSR1 (0.40) | NPSR1MEN1KMT2AGAAL3MBTL1 | |
| SCHEMBL20605104 | 0.76 | ROCK2 (0.48) | NPSR1ROCK2MEN1KMT2AGAA | |
| SCHEMBL28154606 | 0.76 | PTPN5 (0.36) | — | |
| SCHEMBL366679 | 0.76 | MEN1 (0.41) | NPSR1MEN1KMT2ALMNAALOX15 | |
| SCHEMBL28167753 | 0.75 | GPR84 (0.44) | NPSR1MEN1KMT2ALMNAALOX15 | |
| SCHEMBL31470225 | 0.75 | GPR84 (0.44) | NPSR1MEN1KMT2ALMNAALOX15 | |
| SCHEMBL25183137 | 0.74 | PTPN5 (0.39) | ROCK2GAAKDM4EPOLB |
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 |