Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4049235 | 0.91 | TSHR (0.38) | HSD11B1 | |
| SCHEMBL4039217 | 0.89 | HSD17B10 (0.40) | SMYD3 | |
| SCHEMBL4044364 | 0.87 | AKR1C3 (0.31) | — | |
| SCHEMBL4037609 | 0.85 | CTSK (0.31) | — | |
| SCHEMBL4041823 | 0.85 | CTSK (0.39) | — | |
| SCHEMBL4044693 | 0.84 | CTSK (0.42) | — | |
| SCHEMBL4040282 | 0.82 | PIK3CD (0.35) | — | |
| SCHEMBL4044949 | 0.82 | SMYD3 (0.38) | SMYD3 | |
| SCHEMBL4044726 | 0.81 | PARP1 (0.34) | — | |
| SCHEMBL4039452 | 0.81 | CTSK (0.32) | — |
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 |