Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.52 |
| ▸ | CASP1 | P29466 | 2/20 | 0.52 |
| ▸ | CASP7 | P55210 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22011550 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPK1HSD17B10TSHRATM | |
| SCHEMBL31087243 | 0.83 | KDM4E (0.52) | ALDH1A1HPGDKDM4ELMNARXFP1 | |
| SCHEMBL5890646 | 0.83 | KDM4E (0.52) | ALDH1A1HPGDKDM4ELMNARXFP1 | |
| SCHEMBL9018825 | 0.81 | PTPN1 (0.42) | ALDH1A1HSD17B10TSHRHPGDKDM4E | |
| SCHEMBL13864447 | 0.79 | ALDH1A1 (0.45) | ALDH1A1MAPK1HSD17B10TSHRATM | |
| SCHEMBL28055488 | 0.76 | KDM4E (0.38) | ALDH1A1MAPK1HSD17B10TSHRL3MBTL1 | |
| SCHEMBL24589025 | 0.76 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4ELMNARXFP1 | |
| Naphthalene SCHEMBL15562939 | 0.75 | ALDH1A1 (0.88) | ALDH1A1MAPK1HSD17B10TSHRATM | |
| Fluoranthene SCHEMBL8873541 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MAPK1HSD17B10TSHRATM | |
| SCHEMBL23525587 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MAPK1HSD17B10TSHRATM |
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-113195500-B | Material for organic electroluminescent device | 默克专利有限公司 | 2024-05-17 | — | — | CN | disclosed |