Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 3/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 4/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28250584 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL516364 | 0.79 | MAOA (0.50) | ALDH1A1HSD17B10HPGDTHRBSMN1; SMN2 | |
| SCHEMBL28232293 | 0.79 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL2946 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HSD17B10HPGDSMN1; SMN2HTR1B | |
| SCHEMBL9881101 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL28064703 | 0.77 | MAOA (0.49) | ALDH1A1HSD17B10HPGDTHRBSMN1; SMN2 | |
| SCHEMBL6688624 | 0.77 | PARP1 (0.51) | ALDH1A1HSD17B10CYP1A2ABCG2KDM4E | |
| SCHEMBL24717764 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL28814017 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDSMN1; SMN2HTR1B | |
| SCHEMBL27808337 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDSMN1; SMN2HTR1B |
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-109836326-B | Cu metal-organic framework material based on benzophenanthrene carboxylic acid ligand, and preparation method and application thereof | 北京工业大学 | 2021-06-25 | — | — | CN | disclosed |