Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL129587 | 0.87 | — | — | |
| SCHEMBL224496 | 0.84 | SIGMAR1 (0.39) | SIGMAR1CYP1A2LMNAMAPK1HTT | |
| SCHEMBL431863 | 0.84 | SIGMAR1 (0.44) | SIGMAR1CYP1A2LMNAMAPK1HTT | |
| SCHEMBL10878863 | 0.81 | SIGMAR1 (0.48) | SIGMAR1CYP1A2LMNAMAPK1HTT | |
| SCHEMBL134071 | 0.78 | — | — | |
| SCHEMBL1101260 | 0.78 | DRD2 (0.33) | SIGMAR1 | |
| SCHEMBL18454688 | 0.78 | DRD2 (0.33) | SIGMAR1 | |
| SCHEMBL332772 | 0.77 | SIGMAR1 (0.50) | SIGMAR1CYP1A2LMNAMAPK1HTT | |
| SCHEMBL1678775 | 0.76 | — | — | |
| SCHEMBL129838 | 0.76 | — | — |
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-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |