Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30983335 | 0.78 | HDAC8 (0.35) | ALDH1A1LMNAHTTSMN1; SMN2NPC1 | |
| SCHEMBL26552180 | 0.77 | PARP1 (0.33) | ALDH1A1LMNAHTTSMN1; SMN2NPC1 | |
| SCHEMBL29401113 | 0.74 | ALDH1A1 (0.43) | KDM4EALDH1A1L3MBTL1LMNAGAA | |
| SCHEMBL25128702 | 0.72 | EGLN1 (0.37) | — | |
| SCHEMBL16010754 | 0.72 | TP53 (0.38) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL1644267 | 0.72 | GRM5 (0.53) | NPC1 | |
| SCHEMBL765855 | 0.72 | APLNR (0.41) | KDM4EALDH1A1L3MBTL1LMNAGPR119 | |
| SCHEMBL21780778 | 0.71 | NPC1 (0.37) | ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2 | |
| SCHEMBL24587265 | 0.71 | HTT (0.37) | KDM4EALDH1A1L3MBTL1LMNAGAA | |
| Acetonitrile SCHEMBL27812716 | 0.71 | ALDH1A1 (0.43) | KDM4EALDH1A1HTTNPC1TP53 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113382991-B | Aminopyrimidines useful for inhibiting protein tyrosine kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2022-12-27 | — | — | CN | disclosed |
| WO-2017088755-A1 | AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2017-06-01 | — | — | WO | disclosed |
| CN-106170290-A | Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof | 西格诺药品有限公司 | 2016-11-30 | — | — | CN | disclosed |
| EP-3082819-A1 | SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | Signal Pharmaceuticals, LLC (US) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015095679-A1 | SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2015-06-25 | — | — | WO | disclosed |