Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 18/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 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 | |
|---|---|---|---|---|
| SCHEMBL25863460 | 1.00 | PDK2 (0.33) | PDK2ALDH1A1TP53HPGDTSHR | |
| SCHEMBL25845954 | 0.95 | ALDH1A1 (0.33) | ALDH1A1TP53HPGDTSHRMAPK1 | |
| SCHEMBL25845961 | 0.95 | PDK2 (0.33) | PDK2TYMS | |
| SCHEMBL25861552 | 0.93 | PDK2 (0.33) | PDK2TYMS | |
| SCHEMBL25846452 | 0.93 | PDK2 (0.33) | PDK2TYMS | |
| SCHEMBL25863517 | 0.91 | PDK2 (0.32) | PDK2ALDH1A1TP53HPGDTSHR | |
| SCHEMBL25861712 | 0.91 | ALDH1A1 (0.37) | PDK2ALDH1A1TP53HPGDTSHR | |
| SCHEMBL25844309 | 0.91 | ALDH1A1 (0.37) | PDK2ALDH1A1TP53HPGDTSHR | |
| SCHEMBL25845956 | 0.90 | TYMS (0.33) | TYMS | |
| SCHEMBL25846645 | 0.89 | TYMS (0.33) | ALDH1A1TP53HPGDTSHRMAPK1 |
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-2023120714-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-06-29 | — | — | WO | disclosed |