Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL21712595 | 0.85 | KMT2A (0.39) | KMT2AMEN1 | |
| SCHEMBL28459863 | 0.84 | AAK1 (0.42) | ABCB1AAK1ALDH1A1 | |
| SCHEMBL21729584 | 0.82 | AAK1 (0.37) | ABCB1AAK1KMT2ATSHRMEN1 | |
| SCHEMBL21729515 | 0.81 | AAK1 (0.37) | ABCB1AAK1KMT2ATSHRMEN1 | |
| SCHEMBL21729500 | 0.81 | AAK1 (0.42) | ABCB1AAK1KMT2AMEN1LMNA | |
| SCHEMBL21729559 | 0.81 | AAK1 (0.35) | ABCB1AAK1KMT2AMEN1 | |
| SCHEMBL21729586 | 0.81 | AAK1 (0.39) | ABCB1AAK1KMT2ATSHRMEN1 | |
| SCHEMBL21729495 | 0.81 | CDC7 (0.43) | ABCB1AAK1KMT2AMEN1LMNA | |
| SCHEMBL21729493 | 0.81 | AAK1 (0.42) | ABCB1AAK1KMT2AMEN1LMNA | |
| SCHEMBL28453787 | 0.81 | CDC7 (0.43) | ABCB1AAK1KMT2AMEN1LMNA |
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-112409373-A | Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents | 南京正济医药研究有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-110381950-B | Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents | 南京正济医药研究有限公司 | 2020-09-04 | — | — | CN | disclosed |