Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30311921 | 1.00 | AMY1A (0.48) | AMY1ACYP3A4TDP1ASH1LALDH1A1 | |
| SCHEMBL84829 | 0.83 | CYP3A4 (0.57) | CYP3A4TDP1ASH1LALDH1A1GAA | |
| SCHEMBL31621276 | 0.80 | ALDH1A1 (0.46) | CYP3A4TDP1ASH1LALDH1A1GAA | |
| SCHEMBL17609968 | 0.79 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1GAAKDM4E | |
| SCHEMBL29013274 | 0.78 | ALDH1A1 (0.44) | CYP3A4TDP1ASH1LALDH1A1GAA | |
| SCHEMBL30311983 | 0.78 | ALDH1A1 (0.44) | CYP3A4TDP1ASH1LALDH1A1GAA | |
| SCHEMBL30312029 | 0.76 | ASH1L (0.49) | ASH1LALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL29013240 | 0.76 | ASH1L (0.49) | ASH1LALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL31621265 | 0.73 | ASH1L (0.44) | CYP3A4TDP1ASH1LALDH1A1GAA | |
| SCHEMBL34471238 | 0.72 | FTO (0.54) | CYP3A4TDP1ASH1L |
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-115850263-A | 2, 7-disubstituted benzothiazole compound and application thereof | 浙江工业大学 | 2023-03-28 | — | — | CN | disclosed |