Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.46 |
| ▸ | NQO2 | P16083 | 4/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.40 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL11442397 | 0.89 | ALDH1A1 (0.45) | NQO2KAT2BALDH1A1CASP1CYP3A4 | |
| SCHEMBL15996379 | 0.86 | TLR8 (0.46) | TLR8NQO2ELANEALDH1A1NR4A2 | |
| SCHEMBL7136500 | 0.86 | KAT2B (0.57) | NQO2KAT2BALDH1A1CASP1CYP3A4 | |
| SCHEMBL6229305 | 0.81 | ALDH1A1 (0.53) | NQO2KAT2BALDH1A1CASP1CYP3A4 | |
| SCHEMBL6227163 | 0.81 | ALDH1A1 (0.53) | NQO2KAT2BALDH1A1CASP1CYP3A4 | |
| SCHEMBL8218703 | 0.81 | CYP3A4 (0.60) | NQO2ALDH1A1CASP1CYP3A4TSHR | |
| SCHEMBL38651108 | 0.81 | CYP3A4 (0.60) | NQO2ALDH1A1CASP1CYP3A4TSHR | |
| SCHEMBL9363845 | 0.81 | TLR8 (0.45) | TLR8NQO2ELANEALDH1A1MAPT | |
| SCHEMBL9464298 | 0.80 | TSHR (0.44) | NQO2KAT2BALDH1A1CASP1CYP3A4 | |
| SCHEMBL11798071 | 0.80 | ALDH1A1 (0.54) | TLR8KAT2BALDH1A1CYP3A4TSHR |
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-104876879-B | A kind of BCR-ABL kinase inhibitors | 中国科学院合肥物质科学研究院 | 2018-05-18 | — | — | CN | disclosed |
| CN-104876879-A | Novel BCR-ABL kinase inhibitor | HEFEI INST PHYSICAL SCI CAS | 2015-09-02 | — | — | CN | disclosed |