Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | PREP | P48147 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7545591 | 1.00 | SIGMAR1 (0.47) | SIGMAR1HRH3BACE1PREP | |
| SCHEMBL7546546 | 0.83 | HRH1 (0.41) | SIGMAR1HRH3BACE1 | |
| SCHEMBL17715653 | 0.83 | POLB (0.48) | SIGMAR1 | |
| SCHEMBL7526895 | 0.83 | HRH3 (0.46) | SIGMAR1HRH3BACE1PREP | |
| SCHEMBL7571468 | 0.82 | FASN (0.40) | SIGMAR1 | |
| SCHEMBL7547422 | 0.81 | KMT2A (0.45) | SIGMAR1HRH3 | |
| SCHEMBL7541789 | 0.80 | KMT2A (0.49) | — | |
| SCHEMBL7546132 | 0.80 | HSD11B1 (0.47) | SIGMAR1 | |
| SCHEMBL7548883 | 0.80 | KMT2A (0.44) | SIGMAR1 | |
| SCHEMBL7574120 | 0.79 | PARP1 (0.42) | SIGMAR1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7700603-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |