Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 3/20 | 0.35 |
| ▸ | KHK | P50053 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | SORD | Q00796 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22828248 | 0.94 | KHK (0.36) | MAP3K12KHKHSD17B10MAPK1KDM4E | |
| SCHEMBL25990425 | 0.90 | KHK (0.33) | KHKHDAC4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22828720 | 0.84 | CYP1A2 (0.38) | KHKHSD17B10MAPK1KDM4EHPGD | |
| SCHEMBL22828723 | 0.83 | KHK (0.39) | KHKHSD17B10MAPK1KDM4EHPGD | |
| SCHEMBL22828474 | 0.81 | RBP4 (0.35) | KHK | |
| SCHEMBL22828462 | 0.77 | KHK (0.49) | KHK | |
| SCHEMBL22828654 | 0.77 | MAPT (0.38) | KHKHSD17B10HPGDALDH1A1CYP1A2 | |
| SCHEMBL22828724 | 0.76 | HDAC4 (0.41) | KHKHPGDALDH1A1MAPTHDAC4 | |
| SCHEMBL25990541 | 0.76 | KHK (0.43) | KHKHPGDALDH1A1MAPTSLC6A2 | |
| SCHEMBL22828461 | 0.75 | FABP4 (0.41) | KHKHSD17B10MAPK1KDM4EHPGD |
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-3983404-B1 | DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHBITORS | LILLY CO ELI (US) | 2023-08-09 | — | — | EP | disclosed |