Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL128508 | 0.92 | — | — | |
| SCHEMBL27532798 | 0.90 | NQO1 (0.46) | NQO1LTA4HTP53CYP3A4TDP1 | |
| SCHEMBL28268076 | 0.90 | NQO1 (0.46) | NQO1LTA4HTP53CYP3A4TDP1 | |
| SCHEMBL27881315 | 0.90 | NQO1 (0.46) | NQO1LTA4HTP53CYP3A4TDP1 | |
| SCHEMBL28088121 | 0.85 | NQO1 (0.41) | NQO1LTA4HTP53CYP3A4TDP1 | |
| SCHEMBL920898 | 0.80 | LTA4H (0.63) | NQO1LTA4HTP53CYP3A4TDP1 | |
| SCHEMBL28886887 | 0.80 | KMT2A (0.36) | LTA4HTSHRKDM4ECYP1A2MAPK1 | |
| SCHEMBL27359002 | 0.79 | CA4 (0.41) | LTA4HCYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL27810352 | 0.77 | MAOB (0.51) | CYP1A2CYP2C19SMN1; SMN2GAAMAPT | |
| SCHEMBL921385 | 0.77 | TP53 (0.47) | NQO1LTA4HTP53CYP3A4TDP1 |
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-102050837-A | Method for synthesizing tri(m-ethoxyphenyl)bismuthine | YUJIE JI | 2011-05-11 | — | — | CN | disclosed |