Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.41 |
| ▸ | HSD11B2 | P80365 | 4/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18007733 | 0.87 | HSD11B1 (0.49) | ESR1CYP2C9ESR2HSD11B1HSD11B2 | |
| SCHEMBL27713466 | 0.78 | MAPK1 (0.43) | ESR1CYP2C9ESR2MAPTHSD11B1 | |
| SCHEMBL31042568 | 0.77 | ESR2 (0.64) | ESR1CYP2C9ESR2GAAMAPT | |
| SCHEMBL3644747 | 0.75 | HSD11B1 (0.43) | HSD11B1HSD11B2DGAT1KDM4EALDH1A1 | |
| SCHEMBL19798638 | 0.75 | MAPK1 (0.42) | ESR1CYP2C9ESR2MAPTHSD11B1 | |
| SCHEMBL16902818 | 0.74 | ESR1 (0.60) | ESR1CYP2C9ESR2GAAMAPT | |
| SCHEMBL30215621 | 0.73 | ESR2 (1.00) | ESR1CYP2C9ESR2GAAMAPT | |
| SCHEMBL22191212 | 0.73 | HSP90AA1 (0.52) | ESR1ESR2GAAMAPTXBP1 | |
| SCHEMBL3148759 | 0.72 | ESR2 (0.56) | ESR1CYP2C9ESR2GAAMAPT | |
| SCHEMBL3192560 | 0.71 | HSD11B1 (0.60) | HSD11B1HSD11B2 |
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-107438611-B | fused ring compound, pharmaceutical composition and application thereof | SHANGHAI DE NOVO PHARMATECH CO.,LTD. (CN) | 2019-10-29 | — | — | CN | disclosed |
| CN-107438611-A | fused ring compound, pharmaceutical composition and application thereof | 上海迪诺医药科技有限公司 | 2017-12-05 | — | — | CN | disclosed |