Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 2/20 | 0.43 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22981650 | 1.00 | ALPL (0.43) | ALPLJMJD6TGFBR1KDM4EAAK1 | |
| SCHEMBL22981788 | 0.89 | ALPL (0.54) | ALPLJMJD6TGFBR1KDM4EDHODH | |
| SCHEMBL22986367 | 0.82 | CDK9 (0.46) | ALPLJMJD6ROCK2ROCK1SLC6A4 | |
| SCHEMBL29707061 | 0.80 | DHODH (0.47) | JMJD6KDM4EDHODHROCK2GAA | |
| SCHEMBL22981957 | 0.80 | DHODH (0.47) | JMJD6KDM4EDHODHROCK2GAA | |
| SCHEMBL22986361 | 0.78 | JMJD6 (0.44) | ALPLJMJD6TGFBR1KDM4EDHODH | |
| SCHEMBL17700427 | 0.77 | KDM4E (0.50) | KDM4EPOLBGAA | |
| SCHEMBL22986360 | 0.77 | TGFBR1 (0.41) | ALPLJMJD6TGFBR1KDM4EAAK1 | |
| SCHEMBL22986364 | 0.75 | JMJD6 (0.41) | JMJD6KDM4EDHODHPOLBSLC6A4 | |
| SCHEMBL22986363 | 0.74 | KDM4E (0.49) | ALPLJMJD6TGFBR1KDM4EDHODH |
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-114585622-B | Piperidinyl-methyl-purinamines as NSD2 inhibitors and anticancer agents | 诺华股份有限公司 | 2024-08-09 | — | — | CN | disclosed |
| CN-114585622-A | Piperidinyl-methyl-purinamines as NSD2 inhibitors and anticancer agents | 诺华股份有限公司 | 2022-06-03 | — | — | CN | disclosed |