Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PDE6D | O43924 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13299523 | 0.82 | ESR1 (0.48) | ESR1ESR2TP53GAAKDM4E | |
| SCHEMBL13299524 | 0.82 | ESR1 (0.48) | ESR1ESR2TP53GAAKDM4E | |
| SCHEMBL13299515 | 0.79 | TSHR (0.68) | ESR1ESR2TP53GAAKDM4E | |
| SCHEMBL23266608 | 0.77 | ESR1 (0.58) | ESR1ESR2TP53GAAKDM4E | |
| SCHEMBL15940224 | 0.77 | NLRP3 (0.47) | TP53MAPTPTGS2 | |
| SCHEMBL2462367 | 0.76 | ESR1 (0.56) | ESR1ESR2TP53GAAKDM4E | |
| SCHEMBL12854036 | 0.76 | ESR1 (0.56) | ESR1ESR2TP53GAAKDM4E | |
| SCHEMBL12668943 | 0.76 | ESR1 (0.50) | ESR1ESR2TP53GAAKDM4E | |
| SCHEMBL21185764 | 0.75 | ESR1 (0.55) | ESR1ESR2TP53GAAKDM4E | |
| SCHEMBL23840263 | 0.75 | ESR1 (0.59) | ESR1ESR2TP53GAAKDM4E |
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-2023138254-A1 | HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL AND ELEMENT | 上海八亿时空先进材料有限公司 | 2023-07-27 | — | — | WO | disclosed |