Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28024684 | 0.81 | CYP2D6 (0.46) | CYP2D6CYP1A2ALDH1A1CYP2C19HSD17B10 | |
| SCHEMBL13339074 | 0.80 | ALDH1A1 (0.50) | CYP2D6CYP1A2SLC6A4ALDH1A1CYP2C19 | |
| SCHEMBL4489962 | 0.80 | CYP2D6 (0.41) | CYP2D6CYP1A2SLC6A4ALDH1A1ALOX15 | |
| SCHEMBL2238856 | 0.80 | ALDH1A1 (0.50) | CYP2D6CYP1A2SLC6A4ALDH1A1CYP2C19 | |
| SCHEMBL28365356 | 0.79 | ALDH1A1 (0.44) | CYP2D6CYP1A2SLC6A4ALDH1A1ALOX15 | |
| SCHEMBL3959121 | 0.79 | CYP2D6 (0.47) | CYP2D6CYP1A2ALDH1A1ALOX15CYP2C19 | |
| SCHEMBL12884227 | 0.79 | CYP2D6 (0.47) | CYP2D6CYP1A2ALDH1A1ALOX15CYP2C19 | |
| SCHEMBL487167 | 0.79 | CYP3A4 (0.47) | CYP2D6CYP1A2ALDH1A1ALOX15CYP2C19 | |
| SCHEMBL1471159 | 0.79 | SLC6A4 (0.45) | CYP2D6SLC6A4ALDH1A1ALOX15CYP2C19 | |
| SCHEMBL12574668 | 0.79 | SLC6A4 (0.45) | CYP2D6SLC6A4ALDH1A1ALOX15CYP2C19 |
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-110230071-B | Method for preparing beta-halogenated carbonyl compound by using high-salinity wastewater | 上海交通大学 | 2021-07-13 | — | — | CN | disclosed |