Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.37 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.37 |
| ▸ | TNNT2 | P45379 | 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 | |
|---|---|---|---|---|
| SCHEMBL3076778 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19PDE10ALMNA | |
| SCHEMBL6512953 | 0.77 | PDE10A (0.60) | CYP1A2CYP2C9CYP2C19PDE10ALMNA | |
| SCHEMBL29940575 | 0.77 | PDE10A (0.60) | CYP1A2CYP2C9CYP2C19PDE10ALMNA | |
| SCHEMBL4855882 | 0.75 | PTGS2 (0.49) | CYP1A2CYP2C19POLBALDH1A1MAPT | |
| SCHEMBL29263097 | 0.75 | LMNA (0.39) | CYP1A2CYP2C9CYP2C19PDE10ALMNA | |
| SCHEMBL3083201 | 0.75 | LMNA (0.39) | CYP1A2CYP2C9CYP2C19PDE10ALMNA | |
| SCHEMBL13147880 | 0.75 | CTSB (0.41) | CYP1A2CYP2C9CYP2C19PDE10ALMNA | |
| SCHEMBL4849981 | 0.74 | PTGS2 (0.48) | CYP1A2CYP2C19POLBALDH1A1MAPT | |
| SCHEMBL10094713 | 0.73 | CYP2A6 (0.42) | CYP1A2PIM1FFAR2 | |
| SCHEMBL3083160 | 0.73 | JAK2 (0.44) | CYP1A2PIM1FFAR2 |
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-111848591-B | HDAC inhibitors and methods of making and using the same | 成都先导药物开发股份有限公司 | 2022-03-18 | — | — | CN | disclosed |