Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 2/20 | 0.42 |
| ▸ | F13A1 | P00488 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | TGM1 | P22735 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12425412 | 1.00 | HDAC1 (0.53) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL15249213 | 1.00 | HDAC1 (0.53) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL30316252 | 1.00 | HDAC1 (0.53) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL29437386 | 1.00 | HDAC1 (0.53) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL22387840 | 1.00 | HDAC1 (0.53) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL18573301 | 1.00 | HDAC1 (0.53) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL2301999 | 0.90 | GPR119 (0.47) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL15034386 | 0.87 | GPR119 (0.53) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL31459152 | 0.85 | GPR119 (0.52) | HDAC1GPR119HSD11B1PARP1CHRNB2 | |
| SCHEMBL30248832 | 0.85 | GPR119 (0.52) | HDAC1GPR119HSD11B1PARP1CHRNB2 |
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-111333627-B | Substituted 2-hydro-pyrazole derivatives as anticancer agents | 正大天晴药业集团股份有限公司 | 2024-09-13 | — | — | CN | disclosed |