Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1333471 | 1.00 | SCN9A (0.46) | SCN9AALDH1A1KEAP1KDM4EHPGD | |
| SCHEMBL3508304 | 0.80 | TSHR (0.56) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL8282718 | 0.80 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL12017942 | 0.78 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDGLO1HSD17B10 | |
| SCHEMBL10094540 | 0.78 | HSD11B1 (0.53) | SCN9AALDH1A1KEAP1KDM4EHPGD | |
| SCHEMBL2912664 | 0.77 | ALDH1A1 (0.50) | SCN9AALDH1A1KEAP1KDM4EHPGD | |
| SCHEMBL14842058 | 0.77 | HSD11B1 (0.49) | SCN9AALDH1A1KEAP1KDM4EHPGD | |
| SCHEMBL31143287 | 0.77 | KDR (0.51) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL14127502 | 0.77 | KDR (0.51) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL3006653 | 0.76 | HSD11B1 (0.67) | ALDH1A1KDM4EHPGDHTTHSD17B10 |
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-114258393-B | Heterocyclic compounds having dual inhibitory activity of phosphatidylinositol 3-kinase delta and gamma and medical uses thereof | 中国医药研究开发中心有限公司 | 2024-11-22 | — | — | CN | disclosed |
| CN-117295743-A | Pyrrolopyrimidine derivatives as Wee-1 inhibitors | 微境生物医药科技(上海)有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-117222649-A | Pyrrolopyrimidine derivatives, process for their preparation and their use | 微境生物医药科技(上海)有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-117222648-A | Fused ring compounds as Wee-1 inhibitors, process for their preparation and their use | 微境生物医药科技(上海)有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-114258393-A | Heterocyclic compound with dual phosphatidylinositol 3-kinase delta and gamma inhibitor activity and medical application thereof | 中国医药研究开发中心有限公司 | 2022-03-29 | — | — | CN | disclosed |