Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 13/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23798501 | 0.82 | ABCG2 (0.46) | ABCG2ABCB1MAPK1EGFR | |
| SCHEMBL16355119 | 0.79 | ABCG2 (0.53) | ABCG2KDM4EMAPK1TDP1 | |
| SCHEMBL13554658 | 0.79 | ABCG2 (0.53) | ABCG2KDM4EMAPK1TDP1 | |
| SCHEMBL25496277 | 0.78 | ABCG2 (0.47) | ABCG2ABCB1KDM4E | |
| SCHEMBL30074414 | 0.78 | ABCG2 (0.47) | ABCG2ABCB1KDM4E | |
| SCHEMBL13853271 | 0.77 | TSHR (0.44) | ABCG2KDM4EMAPK1TDP1TSHR | |
| SCHEMBL13554687 | 0.76 | KMT2A (0.56) | ABCG2 | |
| SCHEMBL20682706 | 0.76 | KMT2A (0.56) | ABCG2 | |
| SCHEMBL13554747 | 0.76 | KMT2A (0.56) | ABCG2 | |
| SCHEMBL25362791 | 0.75 | MAOB (0.50) | ABCG2ABCB1 |
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-115427051-A | Therapeutic agents and conjugates thereof | 北京轩义医药科技有限公司 | 2022-12-02 | — | — | CN | disclosed |