Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27339195 | 0.88 | CYP2C9 (0.51) | CYP2C9HSD17B10ESR1ESR2PTPN1 | |
| SCHEMBL27323386 | 0.76 | HSD17B10 (0.44) | CYP2C9HSD17B10ESR1ESR2 | |
| SCHEMBL3234995 | 0.74 | FDPS (0.46) | CYP2C9ESR1ESR2 | |
| SCHEMBL916478 | 0.73 | UGT2B7 (0.49) | — | |
| SCHEMBL10773562 | 0.72 | ALDH1A1 (0.45) | — | |
| Magnesium SCHEMBL916872 | 0.72 | UGT2B7 (0.47) | — | |
| SCHEMBL10928799 | 0.72 | ACP3 (0.66) | — | |
| SCHEMBL9702598 | 0.71 | PTPN1 (0.48) | CYP2C9HSD17B10PTPN1 | |
| SCHEMBL27417426 | 0.71 | CYP2C9 (0.44) | CYP2C9HSD17B10ESR1ESR2 | |
| SCHEMBL6449523 | 0.70 | ACP3 (0.39) | — |
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-1119180-A | Semiantigen compound, synthesizing process and use thereof | SHANGHAI INST ORGANIC CHEM (CN) | 1996-03-27 | — | — | CN | disclosed |