Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 8/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | MC3R | P41968 | 1/20 | 0.35 |
| ▸ | MC1R | Q01726 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4039893 | 0.93 | CTSK (0.41) | CTSKMMP1MMP3MMP9ELANE | |
| SCHEMBL4051965 | 0.93 | MC4R (0.38) | CTSKMMP1MMP3MMP9ELANE | |
| SCHEMBL4045571 | 0.92 | CTSK (0.46) | CTSKMMP1MMP3MMP9ELANE | |
| SCHEMBL4040677 | 0.90 | CTSK (0.41) | CTSKMMP1MMP3MMP9SMN1; SMN2 | |
| SCHEMBL4039972 | 0.89 | CTSK (0.40) | CTSKMMP1MMP3MMP9ELANE | |
| SCHEMBL4042370 | 0.89 | CTSK (0.42) | CTSKMMP1MMP3MMP9ELANE | |
| SCHEMBL4041363 | 0.89 | CTSK (0.42) | CTSKMMP1MMP3MMP9ELANE | |
| SCHEMBL4045633 | 0.88 | CTSK (0.41) | CTSKMMP1MMP3MMP9ALDH1A1 | |
| SCHEMBL4045591 | 0.88 | CTSK (0.41) | CTSKMMP1MMP3MMP9ELANE | |
| SCHEMBL4047118 | 0.88 | CTSK (0.41) | CTSKMMP1MMP3MMP9ELANE |
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 |