Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.31 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28192440 | 0.73 | ATM (0.37) | ALDH1A1SLC9A1KEAP1 | |
| SCHEMBL13106207 | 0.70 | HSP90AB1 (0.39) | ALDH1A1MEN1KMT2APARP1MAOB | |
| SCHEMBL28226985 | 0.70 | PARP1 (0.35) | ALDH1A1MEN1KMT2APARP1MAOB | |
| SCHEMBL27359770 | 0.69 | PDE10A (0.38) | ALDH1A1MEN1KMT2APARP1MAOB | |
| SCHEMBL8536634 | 0.67 | PARP1 (0.36) | ALDH1A1MEN1KMT2APARP1MAOB | |
| SCHEMBL27229448 | 0.63 | SLC9A1 (0.32) | SLC9A1KEAP1 | |
| SCHEMBL26581155 | 0.62 | MAPT (0.39) | ALDH1A1PARP1 | |
| SCHEMBL21984834 | 0.62 | MEN1 (0.38) | ALDH1A1MEN1KMT2APARP1 | |
| SCHEMBL28137695 | 0.62 | AXL (0.37) | ALDH1A1MEN1KMT2AHSP90AB1GAA | |
| SCHEMBL27229417 | 0.62 | PDPK1 (0.37) | SLC9A1KEAP1 |
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-107428731-A | Substituted 2-hydro-pyrazole derivatives as anti-cancer agents | 正大天晴药业集团股份有限公司 | 2017-12-01 | — | — | CN | disclosed |