Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPC | P11150 | 1/20 | 0.50 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3894930 | 0.86 | LIPC (0.66) | LIPCLIPGSTAT3PLK1CYP2C19 | |
| SCHEMBL27811819 | 0.84 | LIPC (0.49) | LIPCLIPGCFTRCES2AURKA | |
| SCHEMBL31264931 | 0.83 | KDM4E (0.58) | LIPCLIPGCFTRCES2AURKA | |
| SCHEMBL14676630 | 0.83 | KDM4E (0.58) | LIPCLIPGCFTRCES2AURKA | |
| SCHEMBL28784710 | 0.82 | RXFP1 (0.58) | LIPCLIPGCFTRAURKARPS6KB1 | |
| SCHEMBL7484916 | 0.81 | LIPC (0.47) | LIPCLIPGSTAT3CES2PLK1 | |
| SCHEMBL11639893 | 0.80 | LIPC (0.49) | LIPCLIPGSTAT3PLK1CYP1A2 | |
| SCHEMBL5261897 | 0.80 | JAK2 (0.46) | MKNK1MKNK2RPS6KB1ALDH1A1KDM4E | |
| SCHEMBL24720949 | 0.79 | JAK2 (0.50) | CFTRCES2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL5264007 | 0.78 | CHEK1 (0.43) | MKNK1MKNK2ALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1740551-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105760-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |