Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ODC1 | P11926 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21491326 | 0.83 | CYP3A4 (0.43) | CYP3A4DNM1TSHRMEN1KMT2A | |
| SCHEMBL237526 | 0.79 | — | — | |
| Ethylenediamine SCHEMBL27579634 | 0.79 | TSHR (0.55) | CYP3A4DNM1TSHRMEN1KMT2A | |
| SCHEMBL28500589 | 0.79 | CYP3A4 (0.40) | CYP3A4DNM1TSHRMEN1KMT2A | |
| SCHEMBL9646025 | 0.78 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| SCHEMBL1023994 | 0.78 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| SCHEMBL23406866 | 0.77 | TSHR (0.52) | CYP3A4DNM1TSHRMEN1KMT2A | |
| SCHEMBL429250 | 0.77 | TSHR (0.52) | CYP3A4DNM1TSHRMEN1KMT2A | |
| SCHEMBL5932795 | 0.77 | TSHR (0.52) | CYP3A4DNM1TSHRMEN1KMT2A | |
| SCHEMBL19262110 | 0.77 | TSHR (0.52) | CYP3A4DNM1TSHRMEN1KMT2A |
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-112236428-A | Antiproliferative compounds and uses thereof | 默克专利股份有限公司 | 2021-01-15 | — | — | CN | disclosed |