Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.52 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.39 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008257 | 1.00 | SIGMAR1 (0.52) | SIGMAR1KCNQ2USP30ADRA1DADRA1A | |
| SCHEMBL8006026 | 0.94 | SIGMAR1 (0.51) | SIGMAR1KCNQ2USP30ADRA1DADRA1A | |
| SCHEMBL8005302 | 0.85 | KCNQ2 (0.47) | SIGMAR1KCNQ2ADRA1DADRA1AADRA1B | |
| SCHEMBL8005511 | 0.84 | SIGMAR1 (0.50) | SIGMAR1KCNQ2CCR3 | |
| SCHEMBL8005502 | 0.84 | SIGMAR1 (0.50) | SIGMAR1KCNQ2CCR3 | |
| SCHEMBL7715892 | 0.82 | KCNQ2 (0.50) | SIGMAR1KCNQ2ADRA1DADRA1AADRA1B | |
| SCHEMBL7852344 | 0.78 | SIGMAR1 (0.41) | SIGMAR1DPP4MTORRPTORMLST8 | |
| SCHEMBL7844417 | 0.75 | KCNQ2 (0.46) | SIGMAR1KCNQ2ADRA1DADRA1AADRA1B | |
| SCHEMBL8008414 | 0.75 | ADRA1A (0.45) | ADRA1DADRA1AADRA1BMTORRPTOR | |
| SCHEMBL8007845 | 0.74 | ADRA1A (0.48) | ADRA1DADRA1AADRA1B |
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-6143750-A | NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS | MERCK & CO., INC. (US) | 2000-11-07 | — | — | US | disclosed |