Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL25040924 | 0.83 | ESR1 (0.50) | ESR1ESR2BACE1KDM4ELMNA | |
| SCHEMBL24755557 | 0.82 | ESR1 (0.49) | ESR1ESR2BACE1KDM4ELMNA | |
| SCHEMBL26060359 | 0.82 | ESR1 (0.49) | ESR1ESR2BACE1KDM4ELMNA | |
| SCHEMBL24680259 | 0.81 | ESR1 (0.48) | ESR1ESR2BACE1MAPT | |
| SCHEMBL26502462 | 0.78 | ESR1 (0.49) | ESR1ESR2BACE1KDM4ELMNA | |
| SCHEMBL24652318 | 0.78 | ESR1 (0.37) | ESR1ESR2ALOX15 | |
| SCHEMBL29680720 | 0.78 | ESR1 (0.38) | ESR1ESR2 | |
| SCHEMBL25808804 | 0.77 | ESR1 (0.45) | ESR1ESR2KDM4E | |
| SCHEMBL25040639 | 0.77 | ESR1 (0.45) | ESR1ESR2BACE1 | |
| SCHEMBL24791895 | 0.77 | ESR1 (0.47) | ESR1ESR2GABRA1GABRB2BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023020521-A1 | PYRIDINE FUSED PYRIMIDINE DERIVATIVES AND USE THEREOF | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2023-02-23 | — | — | WO | disclosed |