Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 13/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 10/20 | 0.35 |
| ▸ | CTSS | P25774 | 8/20 | 0.35 |
| ▸ | CTSB | P07858 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4042987 | 0.94 | CTSK (0.41) | CTSKKMT2ASMN1; SMN2MAPK1CTSL | |
| SCHEMBL4044090 | 0.93 | CTSK (0.34) | CTSKKMT2AELANEALDH1A1 | |
| SCHEMBL4048045 | 0.90 | CTSK (0.43) | CTSKKMT2ACTSLCTSSCTSB | |
| SCHEMBL4045311 | 0.89 | CTSK (0.43) | CTSKKMT2ASMN1; SMN2MAPK1CTSL | |
| SCHEMBL4046882 | 0.88 | CTSK (0.41) | CTSKKMT2ASMN1; SMN2MAPK1CTSL | |
| SCHEMBL4044003 | 0.88 | CTSK (0.40) | CTSKCTSLCTSSCTSB | |
| SCHEMBL4037997 | 0.88 | CTSK (0.40) | CTSKKMT2ACTSLCTSSCTSB | |
| SCHEMBL4042306 | 0.87 | MMP8 (0.37) | CTSKKMT2ACTSSELANEALDH1A1 | |
| SCHEMBL4041956 | 0.86 | CTSK (0.46) | CTSKKMT2ACTSLCTSSCTSB | |
| SCHEMBL4050222 | 0.86 | CTSK (0.43) | CTSKKMT2ACTSLCTSSCTSB |
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 |