Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL222261 | 1.00 | ALDH1A1 (0.51) | ALDH1A1KDM4ELMNAEPHX1CYP2D6 | |
| SCHEMBL27951235 | 1.00 | ALDH1A1 (0.51) | ALDH1A1KDM4ELMNAEPHX1CYP2D6 | |
| SCHEMBL28089424 | 0.98 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAEPHX1CYP2D6 | |
| SCHEMBL14540954 | 0.90 | — | — | |
| SCHEMBL13202359 | 0.90 | — | — | |
| SCHEMBL16390227 | 0.83 | EPHX1 (0.46) | ALDH1A1KDM4ELMNAEPHX1CYP2D6 | |
| SCHEMBL16638649 | 0.83 | EPHX1 (0.46) | ALDH1A1KDM4ELMNAEPHX1CYP2D6 | |
| SCHEMBL16389976 | 0.83 | EPHX1 (0.46) | ALDH1A1KDM4ELMNAEPHX1CYP2D6 | |
| SCHEMBL16390218 | 0.83 | EPHX1 (0.46) | ALDH1A1KDM4ELMNAEPHX1CYP2D6 | |
| SCHEMBL16390287 | 0.83 | EPHX1 (0.46) | ALDH1A1KDM4ELMNAEPHX1CYP2D6 |
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-103601748-B | Hydroxyalkylation heterocyclic boronic acids ester and preparation method thereof, purposes | 上海交通大学 | 2016-11-02 | — | — | CN | disclosed |