Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23174744 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HPGDHSD17B10KDM4ELMNA | |
| SCHEMBL29178122 | 0.87 | KDM4E (0.41) | ALDH1A1HPGDHSD17B10KDM4ELMNA | |
| SCHEMBL1894540 | 0.85 | FEN1 (0.44) | ALDH1A1HSD17B10KDM4EHTR3EHTR3B | |
| SCHEMBL7073025 | 0.84 | GPR3 (0.43) | ALDH1A1HPGDKDM4ELMNAFEN1 | |
| SCHEMBL15229716 | 0.80 | HDAC6 (0.52) | ALDH1A1HPGDHSD17B10KDM4ELMNA | |
| SCHEMBL17910321 | 0.79 | KDM4E (0.41) | KDM4EFEN1CNR1CNR2GPR3 | |
| SCHEMBL5009531 | 0.79 | L3MBTL1 (0.45) | ALDH1A1KDM4EFEN1CNR1CNR2 | |
| SCHEMBL29585194 | 0.79 | KDM4E (0.41) | KDM4EFEN1CNR1CNR2GPR3 | |
| SCHEMBL22307473 | 0.79 | KDM4E (0.40) | ALDH1A1HSD17B10KDM4ELMNAHTR3E | |
| SCHEMBL19501177 | 0.79 | ADRA1A (0.45) | ALDH1A1HPGDKDM4ELMNACNR2 |
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-114761082-A | Azepane derivatives | 日本化学药品株式会社 | 2022-07-15 | — | — | CN | disclosed |