Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.60 |
| ▸ | MAOB | P27338 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | GFER | P55789 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | AXL | P30530 | 1/20 | 0.53 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL25215416 | 1.00 | SMYD3 (0.60) | SMYD3MAOBMAPTGFERKDM4E | |
| SCHEMBL2588926 | 0.84 | MAOB (0.58) | SMYD3MAOBMAPTKDM4EMEN1 | |
| SCHEMBL30770326 | 0.83 | GFER (0.57) | SMYD3MAOBMAPTGFERKDM4E | |
| SCHEMBL2656824 | 0.83 | GFER (0.57) | SMYD3MAOBMAPTGFERKDM4E | |
| SCHEMBL14020422 | 0.82 | HSD17B1 (0.57) | SMYD3MAOBMAPTGFERKDM4E | |
| SCHEMBL30040337 | 0.82 | RAB9A (0.54) | MAOBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL25222888 | 0.82 | RAB9A (0.54) | MAOBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL25219927 | 0.82 | MAOB (0.57) | MAOBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL30039909 | 0.82 | MAOB (0.57) | MAOBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL25219100 | 0.81 | MAOB (0.48) | SMYD3MAOBMAPT |
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-115427412-B | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-115427412-A | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-12-02 | — | — | CN | disclosed |