Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28838566 | 1.00 | NPC1 (0.43) | NPC1RAB9ATDP1MAPTLMNA | |
| SCHEMBL8956441 | 0.79 | NPC1 (0.41) | NPC1RAB9ATDP1MAPTLMNA | |
| SCHEMBL30632939 | 0.70 | NPC1 (0.51) | NPC1RAB9ATDP1MAPTLMNA | |
| SCHEMBL1689789 | 0.69 | TDP1 (0.58) | NPC1RAB9ATDP1MAPTLMNA | |
| SCHEMBL1689790 | 0.69 | TDP1 (0.58) | NPC1RAB9ATDP1MAPTLMNA | |
| SCHEMBL21654539 | 0.69 | PTK2 (0.47) | NPC1RAB9AMAPTLMNAMEN1 | |
| SCHEMBL29194424 | 0.68 | TDP1 (0.56) | NPC1RAB9ATDP1MAPTLMNA | |
| SCHEMBL11454521 | 0.67 | TDP1 (0.60) | NPC1RAB9ATDP1MAPTLMNA | |
| SCHEMBL15741642 | 0.67 | NPC1 (0.61) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL29678498 | 0.67 | NPC1 (0.61) | NPC1RAB9AMAPTKDM4EALDH1A1 |
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-113061120-B | Styryl oxadiazole compound and preparation method and application thereof | 长沙理工大学 | 2022-07-12 | — | — | CN | disclosed |
| CN-113061120-A | Styryl oxadiazole compound and preparation method and application thereof | 长沙理工大学 | 2021-07-02 | — | — | CN | disclosed |