Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | PREP | P48147 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.35 |
| ▸ | DRD4 | P21917 | 6/20 | 0.35 |
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4040806 | 0.88 | CTSK (0.38) | HDAC1DPP4PREPHDAC2DRD4 | |
| SCHEMBL4043068 | 0.87 | HDAC1 (0.36) | HDAC1DPP4PREPHDAC2DRD4 | |
| SCHEMBL4048563 | 0.87 | HDAC1 (0.40) | HDAC1DPP4PREPHDAC2DRD4 | |
| SCHEMBL4043621 | 0.84 | CTSK (0.39) | HDAC1DPP4PREPDRD4DRD2 | |
| SCHEMBL4042382 | 0.82 | HDAC1 (0.35) | HDAC1DPP4PREPHDAC2DRD4 | |
| SCHEMBL4039472 | 0.78 | HDAC1 (0.35) | HDAC1DPP4PREPHDAC2CHRM4 | |
| SCHEMBL4040909 | 0.77 | GPR132 (0.36) | HDAC1DPP4PREPHDAC2DRD4 | |
| SCHEMBL4039814 | 0.76 | HDAC1 (0.36) | HDAC1DPP4PREPHDAC2DRD4 | |
| SCHEMBL6209625 | 0.76 | HDAC1 (0.35) | HDAC1DPP4PREPDRD4DRD2 | |
| SCHEMBL4043991 | 0.76 | HDAC1 (0.35) | HDAC1DPP4PREPDRD4DRD2 |
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 |