Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5264746 | 0.81 | ALDH1A1 (0.39) | PARP1MAPK8MAPT | |
| SCHEMBL5264419 | 0.81 | KDM4E (0.41) | MAPT | |
| SCHEMBL688068 | 0.80 | MAP2K2 (0.37) | PARP1MAPK8 | |
| SCHEMBL5265319 | 0.80 | CES2 (0.42) | CES2JAK2MAPK8 | |
| SCHEMBL13081779 | 0.79 | KEAP1 (0.44) | KEAP1CES2CES1PARP1JAK2 | |
| SCHEMBL5262040 | 0.78 | KDM4E (0.48) | PARP1MAPT | |
| SCHEMBL12023001 | 0.77 | MAPK8 (0.46) | KEAP1CES2CES1PARP1JAK2 | |
| SCHEMBL5262595 | 0.75 | KMT2A (0.51) | MAPT | |
| SCHEMBL21594425 | 0.73 | KEAP1 (0.40) | KEAP1CES2CES1PARP1JAK2 | |
| SCHEMBL10209769 | 0.72 | LMNA (0.47) | KEAP1CES2CES1PARP1JAK2 |
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 |