Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CES1 | P23141 | 4/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MPI | P34949 | 1/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29204149 | 0.82 | HSD17B10 (0.73) | HSD17B10ALDH1A1NPSR1GAAMAPT | |
| SCHEMBL30486192 | 0.82 | HSD17B10 (0.73) | HSD17B10ALDH1A1NPSR1GAAMAPT | |
| SCHEMBL7679531 | 0.79 | TRPA1 (0.50) | HSD17B10ALDH1A1NPSR1MAPTPOLB | |
| SCHEMBL7679532 | 0.79 | TRPA1 (0.50) | HSD17B10ALDH1A1NPSR1MAPTPOLB | |
| SCHEMBL14740730 | 0.73 | ALDH1A1 (0.58) | HSD17B10ALDH1A1CES1NPSR1GAA | |
| SCHEMBL11862754 | 0.72 | HSD17B10 (0.64) | HSD17B10ALDH1A1NPSR1MAPTPOLB | |
| SCHEMBL29179695 | 0.72 | HSD17B10 (1.00) | HSD17B10ALDH1A1NPSR1GAAMAPT | |
| SCHEMBL21477307 | 0.71 | HSD17B10 (0.73) | HSD17B10ALDH1A1NPSR1GAAMAPT | |
| SCHEMBL9525846 | 0.71 | HPGD (0.53) | HSD17B10ALDH1A1GAAMAPTPOLB | |
| SCHEMBL5487612 | 0.70 | HSD17B10 (0.43) | HSD17B10ALDH1A1NPSR1GAABCHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107698567-A | Isatin azole alcohol compound and preparation method and medical application thereof | 西南大学 | 2018-02-16 | — | — | CN | claimed |
| CN-107698567-A | Isatin azole alcohol compound and preparation method and medical application thereof | 西南大学 | 2018-02-16 | — | — | CN | disclosed |