Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28650295 | 1.00 | PTGES (0.39) | PTGESPDPK1ENPP3ENPP1CYP1A2 | |
| SCHEMBL2906916 | 0.85 | ALDH1A1 (0.46) | PTGESPDPK1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL31130596 | 0.83 | ALDH1A1 (0.50) | PTGESPDPK1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL311307 | 0.83 | ALDH1A1 (0.50) | PTGESPDPK1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL21764658 | 0.83 | ALDH1A1 (0.50) | PTGESPDPK1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL30608977 | 0.77 | PARP1 (0.39) | PDPK1CYP1A2ALDH1A1HSD17B10THRB | |
| SCHEMBL29275133 | 0.77 | PARP1 (0.39) | PDPK1CYP1A2ALDH1A1HSD17B10THRB | |
| SCHEMBL19164105 | 0.74 | PARP1 (0.41) | ENPP3ENPP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL17381206 | 0.74 | ALDH1A1 (0.45) | CYP1A2ALDH1A1HSD17B10THRBHPGD | |
| SCHEMBL19164356 | 0.71 | ALDH1A1 (0.39) | PTGESENPP3ENPP1CYP1A2ALDH1A1 |
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-108117511-B | Spirofluorene ring compound, use thereof, and organic electroluminescent device using the same | 北京鼎材科技有限公司 | 2022-05-27 | — | — | CN | disclosed |