Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | DGKA | P23743 | 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 | |
|---|---|---|---|---|
| SCHEMBL25841567 | 0.92 | ALDH1A1 (0.44) | ALDH1A1TSHREPHX2TP53CA2 | |
| SCHEMBL8465180 | 0.90 | ALDH1A1 (0.52) | ALDH1A1TSHREPHX2TP53CA2 | |
| SCHEMBL26435281 | 0.89 | ALDH1A1 (0.52) | ALDH1A1TSHREPHX2TP53GAA | |
| SCHEMBL8465379 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHREPHX2TP53HTT | |
| SCHEMBL27508617 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHREPHX2TP53HTT | |
| SCHEMBL6053378 | 0.85 | — | — | |
| SCHEMBL28603730 | 0.83 | TSHR (0.40) | ALDH1A1TSHREPHX2TP53CA2 | |
| SCHEMBL21713199 | 0.83 | TSHR (0.40) | ALDH1A1TSHREPHX2TP53CA2 | |
| SCHEMBL13922207 | 0.83 | TSHR (0.40) | ALDH1A1TSHREPHX2TP53CA2 | |
| SCHEMBL6246216 | 0.83 | TSHR (0.40) | ALDH1A1TSHREPHX2TP53CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574239-B | 3-thiazolenyl boron fluoride complex dipyrromethene compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-03-25 | — | — | CN | disclosed |
| CN-112574239-A | 3-thiazolenyl boron fluoride complex dipyrromethene compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-03-30 | — | — | CN | disclosed |