Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MPL | P40238 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | FLT3 | P36888 | 2/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28223418 | 0.83 | HSD11B1 (0.49) | KIF11HSD11B1CNR2PDK2ALDH1A1 | |
| SCHEMBL3793651 | 0.83 | KIF11 (0.46) | KIF11TSHRGLAPOLBGAA | |
| SCHEMBL3790566 | 0.83 | KIF11 (0.45) | KIF11TSHRGLAPOLBGAA | |
| SCHEMBL2787163 | 0.82 | BACE1 (0.53) | KIF11HSD11B1TSHRGLAPOLB | |
| SCHEMBL2597833 | 0.82 | HSD11B1 (0.51) | KIF11HSD11B1CNR2PDK2ALDH1A1 | |
| SCHEMBL28686237 | 0.82 | MAP4K4 (0.45) | HSD11B1TSHRGLAPOLBGAA | |
| SCHEMBL7863317 | 0.80 | KIF11 (0.54) | KIF11TSHRGLAPOLBGAA | |
| SCHEMBL6067687 | 0.80 | HSD11B1 (0.55) | KIF11HSD11B1POLBMPLCNR2 | |
| SCHEMBL3534868 | 0.78 | HSD11B1 (0.44) | HSD11B1MPLCNR2PDK2AR | |
| SCHEMBL28222659 | 0.77 | ERN1 (0.47) | HSD11B1PDK2CYP3A4TDP1ALDH1A1 |
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-113943290-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2022-01-18 | — | — | CN | disclosed |