Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.61 |
| ▸ | TDO2 | P48775 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2749558 | 0.80 | CYP1A2 (0.47) | IDO1TDO2KDM4ECYP1A2HSD17B1 | |
| SCHEMBL1564051 | 0.80 | IDO1 (0.57) | IDO1TDO2MAPTKDM4EPLAU | |
| SCHEMBL1397048 | 0.80 | IDO1 (0.41) | IDO1TDO2MAPTKDM4EHSD17B1 | |
| SCHEMBL2747921 | 0.80 | IDO1 (0.41) | IDO1TDO2MAPTKDM4EPLAU | |
| SCHEMBL2748752 | 0.80 | CHEK1 (0.46) | IDO1TDO2MAPTKDM4ECYP1A2 | |
| SCHEMBL12611446 | 0.79 | IDO1 (0.47) | IDO1TDO2MAPTKDM4EHSD17B1 | |
| SCHEMBL8341742 | 0.78 | ALDH1A1 (0.52) | IDO1TDO2MAPTKDM4ECYP1A2 | |
| SCHEMBL2749000 | 0.76 | HSD17B1 (0.43) | IDO1TDO2MAPTKDM4EHSD17B1 | |
| SCHEMBL1397032 | 0.76 | MAPT (0.49) | IDO1TDO2MAPTKDM4EALDH1A1 | |
| SCHEMBL2749751 | 0.76 | HTT (0.49) | IDO1TDO2MAPTKDM4EESR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105399669-B | A kind of dihydroxy isoquinolin and its methods and applications prepared from centipede | 中国药科大学 | 2019-05-03 | — | — | CN | claimed |
| CN-105399669-A | Dihydroxy isoquinoline and preparation method and application thereof from centipedes | UNIV CHINA PHARMA | 2016-03-16 | — | — | CN | claimed |
| CN-105399669-B | A kind of dihydroxy isoquinolin and its methods and applications prepared from centipede | 中国药科大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-105399669-B | A kind of dihydroxy isoquinolin and its methods and applications prepared from centipede | 中国药科大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-105004809-B | Centipede medicinal material quality detection method | 鲁南制药集团股份有限公司 | 2017-02-08 | — | — | CN | disclosed |
| CN-105399669-A | Dihydroxy isoquinoline and preparation method and application thereof from centipedes | UNIV CHINA PHARMA | 2016-03-16 | — | — | CN | disclosed |
| CN-105399669-A | Dihydroxy isoquinoline and preparation method and application thereof from centipedes | UNIV CHINA PHARMA | 2016-03-16 | — | — | CN | disclosed |
| CN-105004809-A | Centipede medicinal material quality control method | LUNAN PHARM GROUP CORP | 2015-10-28 | — | — | CN | disclosed |