Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25927553 | 0.84 | HDAC1 (0.44) | ALDH1A1EGFRLMNAHDAC6ADORA3 | |
| SCHEMBL25929191 | 0.75 | HDAC6 (0.42) | ALDH1A1HPGDCA9CA12CA1 | |
| SCHEMBL28576110 | 0.74 | GAA (0.44) | ALDH1A1NPSR1MAPTRXFP1LMNA | |
| SCHEMBL29697348 | 0.73 | DHFR (0.50) | ALDH1A1EGFRMAPTRXFP1LMNA | |
| SCHEMBL2585957 | 0.73 | DHFR (0.50) | ALDH1A1EGFRMAPTRXFP1LMNA | |
| SCHEMBL2585614 | 0.73 | MEN1 (0.46) | ALDH1A1NPSR1MAPTRXFP1LMNA | |
| SCHEMBL30507756 | 0.73 | MEN1 (0.46) | ALDH1A1NPSR1MAPTRXFP1LMNA | |
| SCHEMBL2631757 | 0.71 | MEN1 (0.48) | ALDH1A1HPGDMAPTPOLBLMNA | |
| SCHEMBL25331916 | 0.71 | ALDH1A1 (0.53) | ALDH1A1HPGDNPSR1CA9CA12 | |
| SCHEMBL29622957 | 0.71 | ALDH1A1 (0.53) | ALDH1A1HPGDNPSR1CA9CA12 |
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 |