Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12719163 | 0.92 | NOTUM (0.49) | NOTUMCNR2ALDH1A1ALOX15DPP4 | |
| SCHEMBL12628276 | 0.83 | NOTUM (0.55) | NOTUMALDH1A1NPC1RAB9ACDK4 | |
| SCHEMBL2632997 | 0.80 | NOTUM (0.53) | NOTUMCNR2ALDH1A1ALOX15NPC1 | |
| SCHEMBL13802543 | 0.79 | GAA (0.57) | NOTUMALDH1A1NPC1HTTRAB9A | |
| SCHEMBL3639889 | 0.79 | NOTUM (0.50) | NOTUMCNR2ALDH1A1ALOX15NPC1 | |
| SCHEMBL16234639 | 0.79 | NOTUM (0.54) | NOTUMCNR2ALDH1A1ALOX15NPC1 | |
| SCHEMBL3639884 | 0.79 | NOTUM (0.50) | NOTUMCNR2ALDH1A1ALOX15NPC1 | |
| SCHEMBL11978607 | 0.76 | NOTUM (0.47) | NOTUMCNR2ALDH1A1ALOX15DPP4 | |
| SCHEMBL12719258 | 0.75 | HDAC1 (0.58) | NOTUMALDH1A1HDAC1HDAC6NPY5R | |
| SCHEMBL13180773 | 0.75 | NOTUM (0.48) | NOTUMCNR2ALDH1A1DPP4DPP8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |