Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.35 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27141821 | 0.89 | ATR (0.42) | ATRCYP17A1MAPKAPK2LCKSYK | |
| SCHEMBL25136736 | 0.86 | ATR (0.40) | ATRCYP17A1MAPKAPK2LCKRXFP1 | |
| SCHEMBL25136697 | 0.85 | ATR (0.40) | ATRCYP17A1MAPKAPK2LCKRXFP1 | |
| SCHEMBL26709368 | 0.84 | RXFP1 (0.40) | ATRCYP17A1MAPKAPK2LCKRXFP1 | |
| SCHEMBL31323628 | 0.81 | MAPKAPK2 (0.40) | ATRCYP17A1MAPKAPK2LCKPOLB | |
| SCHEMBL25136933 | 0.78 | CYP17A1 (0.36) | ATRCYP17A1MAPKAPK2LCKRXFP1 | |
| SCHEMBL25136815 | 0.78 | ATR (0.40) | ATRCYP17A1MAPKAPK2LCKSYK | |
| SCHEMBL16069701 | 0.77 | CYP17A1 (0.43) | ATRCYP17A1LCKSYKRXFP1 | |
| SCHEMBL31018064 | 0.77 | CYP17A1 (0.43) | ATRCYP17A1LCKSYKRXFP1 | |
| SCHEMBL30313207 | 0.77 | HSP90AA1 (0.44) | ATRCYP17A1RXFP1HSP90AA1HSP90AB1 |
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-2023061463-A1 | NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 广东东阳光药业有限公司 | 2023-04-20 | — | — | WO | disclosed |