Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.54 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | AHR | P35869 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.54 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.54 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL2806087 | 0.88 | KDM4E (0.59) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL29721596 | 0.88 | KDM4E (0.59) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Water SCHEMBL8560785 | 0.85 | KDM4E (0.56) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL22621690 | 0.83 | HRH4 (0.60) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL2006392 | 0.81 | KDM4E (0.55) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL5618186 | 0.80 | KDM4E (0.50) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL18886855 | 0.79 | HSD17B10 (0.57) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL27518065 | 0.79 | KDM4E (0.57) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL28672707 | 0.78 | MMP13 (0.55) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL30111329 | 0.78 | PARP1 (0.51) | KDM4EALDH1A1GAACYP1A2PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109748840-A | A kind of synthetic method of 2- substituted indole derivative | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | disclosed |