Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5192274 | 0.79 | KEAP1 (0.49) | KEAP1HDAC1ALDH1A1NOTUMHDAC3 | |
| SCHEMBL15938679 | 0.77 | TGM2 (0.43) | KEAP1HDAC1ALDH1A1NOTUMHDAC3 | |
| Trifluoroacetic Acid SCHEMBL18300904 | 0.72 | KEAP1 (0.42) | KEAP1HDAC1DDR1CHRM4P2RX7 | |
| SCHEMBL2443309 | 0.70 | GRM2 (0.44) | KEAP1HDAC1DDR1HDAC2 | |
| SCHEMBL4476108 | 0.69 | KEAP1 (0.44) | KEAP1HDAC1ALDH1A1HDAC3SMN1; SMN2 | |
| SCHEMBL14230449 | 0.68 | MET (0.35) | CARM1DDR1METCHRM4PRMT6 | |
| SCHEMBL20164183 | 0.67 | KEAP1 (0.35) | KEAP1HDAC1CARM1CHRM4PRMT6 | |
| SCHEMBL21995674 | 0.67 | MAPK8 (0.43) | ALDH1A1METCHRM4MAPK8 | |
| SCHEMBL30937613 | 0.67 | KMT2A (0.40) | KEAP1HDAC1ALDH1A1HDAC3SMN1; SMN2 | |
| SCHEMBL16396814 | 0.66 | KEAP1 (0.53) | KEAP1HDAC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1911754-A1 | Dipeptidyl peptidase inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2008-04-16 | — | — | EP | disclosed |