Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | GRM4 | Q14833 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29643882 | 1.00 | NPC1 (0.58) | NPC1RAB9AGRM4ALDH1A1TDP1 | |
| SCHEMBL28623980 | 0.84 | NPC1 (0.59) | NPC1RAB9AGRM4ALDH1A1TDP1 | |
| SCHEMBL29643958 | 0.84 | NPC1 (0.59) | NPC1RAB9AGRM4ALDH1A1TDP1 | |
| SCHEMBL32060705 | 0.77 | NPC1 (0.69) | NPC1RAB9AGRM4TDP1PKM | |
| SCHEMBL10038817 | 0.77 | NPC1 (0.69) | NPC1RAB9AGRM4TDP1PKM | |
| SCHEMBL29643961 | 0.75 | MAPT (0.65) | NPC1RAB9AGRM4ALDH1A1PKM | |
| SCHEMBL28623966 | 0.75 | MAPT (0.65) | NPC1RAB9AGRM4ALDH1A1PKM | |
| SCHEMBL28611795 | 0.75 | HDAC6 (0.62) | NPC1RAB9AGRM4ALDH1A1PKM | |
| SCHEMBL31087264 | 0.75 | HDAC6 (0.62) | NPC1RAB9AGRM4ALDH1A1PKM | |
| SCHEMBL12764167 | 0.74 | GRM4 (0.72) | NPC1RAB9AGRM4PKMSMN1; SMN2 |
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-113278007-B | Synthetic method of 2-hydroxy-indole-3-ketone compound | 延安大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-113278007-A | Synthetic method of 2-hydroxy-indole-3-ketone compound | 延安大学 | 2021-08-20 | — | — | CN | disclosed |