Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 12/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27105879 | 0.84 | ABCG2 (0.47) | ABCG2APPABCB1MEN1USP2 | |
| SCHEMBL23798501 | 0.84 | ABCG2 (0.46) | ABCG2EGFRAPPABCB1MEN1 | |
| SCHEMBL26748784 | 0.84 | ABCG2 (0.46) | ABCG2APP | |
| SCHEMBL23783484 | 0.84 | ABCG2 (0.46) | ABCG2EGFRAPPABCB1MEN1 | |
| SCHEMBL27105884 | 0.84 | ABCG2 (0.47) | ABCG2APPABCB1MEN1USP2 | |
| SCHEMBL21100870 | 0.84 | ABCG2 (0.46) | ABCG2APP | |
| SCHEMBL23799014 | 0.84 | NAAA (0.41) | ABCG2IDO1 | |
| SCHEMBL15672739 | 0.82 | ABCG2 (0.56) | ABCG2ALDH1A1 | |
| SCHEMBL15672720 | 0.82 | ABCG2 (0.56) | ABCG2ALDH1A1 | |
| SCHEMBL31404334 | 0.82 | MEN1 (0.49) | ABCG2APPABCB1MEN1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021178818-A2 | THERAPEUTIC AGENTS AND CONJUGATES THEREOF | BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) | 2021-09-10 | — | — | WO | disclosed |