Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.63 |
| ▸ | RET | P07949 | 1/20 | 0.63 |
| ▸ | PI4KA | P42356 | 1/20 | 0.63 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.63 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.63 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.63 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.63 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.57 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGDS | O60760 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30763272 | 1.00 | XDH (0.63) | XDHRETPI4KALRRK2PI4K2B | |
| SCHEMBL11363 | 0.77 | XDH (1.00) | XDHRETPI4KALRRK2PI4K2B | |
| SCHEMBL29351045 | 0.77 | XDH (1.00) | XDHRETPI4KALRRK2PI4K2B | |
| Tisopurine SCHEMBL93974 | 0.76 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| SCHEMBL11218 | 0.76 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| SCHEMBL2619226 | 0.76 | RET (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| SCHEMBL15504523 | 0.76 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| Hydrochloric Acid SCHEMBL14742346 | 0.76 | XDH (0.96) | XDHRETPI4KALRRK2PI4K2B | |
| SCHEMBL4975495 | 0.76 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL4627 | 0.76 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117586267-A | Preparation method of 4-bromopyrazole [3,4-D ] -pyrimidine | 山东百启生物医药有限公司 | 2024-02-23 | — | — | CN | claimed |
| CN-115043841-B | Preparation and application of heterocyclic compound serving as BTK inhibitor | 药雅科技(上海)有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-117586267-A | Preparation method of 4-bromopyrazole [3,4-D ] -pyrimidine | 山东百启生物医药有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-117586267-A | Preparation method of 4-bromopyrazole [3,4-D ] -pyrimidine | 山东百启生物医药有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-115043832-B | FGFR inhibitor acetylenic heterocyclic compound and preparation method and application thereof | 药雅科技(上海)有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-115043841-A | Preparation and application of heterocyclic compound as BTK inhibitor | 药雅科技(上海)有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-115043832-A | FGFR inhibitor alkyne-substituted heterocyclic compound and preparation method and application thereof | 药雅科技(上海)有限公司 | 2022-09-13 | — | — | CN | disclosed |