Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14916596 | 1.00 | ESR2 (0.56) | ESR2NR1H2KMT2AMEN1ATM | |
| SCHEMBL14925189 | 1.00 | ESR2 (0.56) | ESR2NR1H2KMT2AMEN1ATM | |
| SCHEMBL21954188 | 0.89 | ESR2 (0.55) | ESR2NR1H2KMT2AMEN1ATM | |
| SCHEMBL26928833 | 0.89 | ESR2 (0.65) | ESR2NR1H2KMT2AMEN1ATM | |
| SCHEMBL25949733 | 0.87 | NR1H2 (0.62) | ESR2NR1H2MAPK1CHRM4DRD2 | |
| SCHEMBL29590263 | 0.85 | ESR2 (0.62) | ESR2NR1H2MAPK1HCRTR2HCRTR1 | |
| SCHEMBL17890573 | 0.85 | ESR2 (0.62) | ESR2NR1H2MAPK1HCRTR2HCRTR1 | |
| SCHEMBL31198112 | 0.84 | ESR2 (0.57) | ESR2NR1H2MAPK1HCRTR2HCRTR1 | |
| SCHEMBL8793500 | 0.84 | ESR2 (0.63) | ESR2NR1H2KMT2AMEN1MAPK1 | |
| SCHEMBL30278467 | 0.84 | ESR2 (0.63) | ESR2NR1H2KMT2AMEN1MAPK1 |
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-110172051-B | IRE-1 alpha inhibitors | 复星弘创(苏州)医药科技有限公司 | 2023-03-07 | — | — | CN | disclosed |