Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | CTSA | P10619 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.30 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27856307 | 0.84 | MAP4K4 (0.39) | HDAC8MELKGRM5KCNH2PRKCZ | |
| SCHEMBL987561 | 0.80 | NQO1 (0.47) | MELKGRM5KCNH2HTTNCOA3 | |
| SCHEMBL2007578 | 0.80 | PDE3B (0.36) | MELKGRM5KCNH2PDE3BPDE3A | |
| SCHEMBL740158 | 0.72 | GRM5 (0.53) | GRM5KCNH2MIFKDM4EALDH1A1 | |
| SCHEMBL30824468 | 0.72 | GRM5 (0.53) | GRM5KCNH2MIFKDM4EALDH1A1 | |
| SCHEMBL1899820 | 0.72 | NPC1 (0.47) | PDE3BPDE3AMALT1IMPDH2ROCK2 | |
| SCHEMBL208412 | 0.69 | — | — | |
| SCHEMBL276051 | 0.68 | KDM4E (0.41) | MELKPDE3BPDE3AMALT1IMPDH2 | |
| SCHEMBL3064494 | 0.68 | IMPDH2 (0.42) | KCNH2PDE3BPDE3AMALT1IMPDH2 | |
| SCHEMBL3952608 | 0.68 | MALT1 (0.37) | PDE3BPDE3AMALT1IMPDH2ROCK2 |
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-117157292-A | KRAS G12D inhibitors and uses thereof | 苏州赞荣医药科技有限公司 | 2023-12-01 | — | — | CN | disclosed |