Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747823 | 0.91 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HPGDALOX15GAA | |
| SCHEMBL22747835 | 0.86 | KMO (0.40) | ALDH1A1HPGDGAAMAPTTSHR | |
| SCHEMBL22760185 | 0.84 | HPGD (0.43) | ALDH1A1HSD17B10HPGDALOX15GAA | |
| SCHEMBL22760149 | 0.82 | LMNA (0.41) | ALDH1A1HSD17B10HPGDALOX15GAA | |
| SCHEMBL22747893 | 0.82 | MAPK1 (0.39) | ALDH1A1HSD17B10HPGDALOX15MAPT | |
| SCHEMBL22760115 | 0.81 | MAPT (0.46) | ALDH1A1HPGDGAAMAPTLMNA | |
| SCHEMBL22760359 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HPGDGAAMAPTNPSR1 | |
| SCHEMBL22747894 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDALOX15GAA | |
| SCHEMBL22747885 | 0.80 | HPGD (0.45) | ALDH1A1HPGDGAAMAPTLMNA | |
| SCHEMBL22760151 | 0.80 | MAPK8 (0.49) | ALDH1A1HSD17B10ALOX15GAAMAPT |
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-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |