Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.38 |
| ▸ | CD38 | P28907 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13921287 | 0.85 | PLK1 (0.59) | PLK1TRPA1CES2CES1GAA | |
| SCHEMBL22520945 | 0.82 | CES2 (0.48) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL5264765 | 0.81 | ALDH1A1 (0.41) | GAAALDH1A1MKNK1MKNK2NPC1 | |
| SCHEMBL9512487 | 0.81 | ALDH1A1 (0.45) | GAAALDH1A1MKNK1MKNK2SMN1; SMN2 | |
| SCHEMBL16696041 | 0.80 | LMNA (0.40) | PLK1TRPA1CES2CES1ITGB2 | |
| SCHEMBL28639673 | 0.80 | PLK1 (0.54) | PLK1ALDH1A1MKNK2SMN1; SMN2NPC1 | |
| SCHEMBL6269267 | 0.78 | PLK1 (0.53) | PLK1ALDH1A1SMN1; SMN2RAB9AMAPK8 | |
| SCHEMBL5261951 | 0.78 | CA12 (0.47) | GAAALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL203321 | 0.75 | CES2 (0.64) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL14731241 | 0.75 | CES2 (0.48) | RORCCES2CES1ITGB2ICAM1 |
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 |