Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4041433 | 0.92 | ALDH1A1 (0.35) | ITGB1ITGAVHSD17B10ITGA4ITGB7 | |
| SCHEMBL4044157 | 0.91 | CNR1 (0.38) | CNR1L3MBTL1ITGB1ITGA4ITGB7 | |
| SCHEMBL4042762 | 0.91 | GAA (0.34) | CNR1L3MBTL1ALDH1A1MAPK1GAA | |
| SCHEMBL4052351 | 0.90 | CNR1 (0.36) | CNR1L3MBTL1ITGB1ITGA4ALDH1A1 | |
| SCHEMBL4044198 | 0.89 | CTSL (0.42) | CNR1ALDH1A1MAPK1GAATSHR | |
| SCHEMBL4040381 | 0.86 | MC4R (0.36) | CNR1ITGB1ITGA4ALDH1A1GAA | |
| SCHEMBL4048142 | 0.86 | GAA (0.36) | CNR1L3MBTL1HSD17B10ITGA4ITGB7 | |
| SCHEMBL4042222 | 0.86 | CNR1 (0.34) | CNR1L3MBTL1ITGB1ITGA4ALDH1A1 | |
| SCHEMBL4046868 | 0.85 | ITGB1 (0.37) | ITGB1ITGAVITGA4ITGB7ALDH1A1 | |
| SCHEMBL4042676 | 0.83 | CTSB (0.36) | L3MBTL1ALDH1A1MAPK1SMN1; SMN2MAPT |
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-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |