Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | BRD4 | O60885 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131784 | 0.81 | ALDH1A1 (0.39) | ALDH1A1BRD4L3MBTL1DRD2DRD1 | |
| SCHEMBL30877462 | 0.79 | ALDH1A1 (0.42) | NPC1PKMALDH1A1BRD4L3MBTL1 | |
| SCHEMBL30877347 | 0.78 | CYP3A4 (0.38) | ALDH1A1BRD4L3MBTL1PDE4DDRD1 | |
| SCHEMBL30877446 | 0.78 | ALDH1A1 (0.40) | ALDH1A1BRD4L3MBTL1DRD2DRD1 | |
| SCHEMBL29131767 | 0.78 | ALDH1A1 (0.40) | NPC1PKMALDH1A1BRD4L3MBTL1 | |
| SCHEMBL29131772 | 0.78 | TP53 (0.39) | ALDH1A1BRD4L3MBTL1PDE4APDE4B | |
| SCHEMBL30877411 | 0.75 | BRD4 (0.38) | NPC1PKMALDH1A1BRD4L3MBTL1 | |
| SCHEMBL30877341 | 0.74 | BRD4 (0.38) | PKMALDH1A1BRD4L3MBTL1PDE4A | |
| SCHEMBL29772766 | 0.74 | NPC1 (0.37) | NPC1PKMALDH1A1L3MBTL1HTT | |
| SCHEMBL30877425 | 0.74 | ALDH1A1 (0.44) | ALDH1A1BRD4L3MBTL1POLBALDH3A1 |
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-117098763-A | TYK2 inhibitors | 渤健马萨诸塞州股份有限公司 | 2023-11-21 | — | — | CN | disclosed |