Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8808442 | 1.00 | ADRA1A (0.34) | ADRA1AHSD11B1DRD2HTR1APARP1 | |
| SCHEMBL8811945 | 0.92 | ADRA1A (0.43) | ADRA1AHSD11B1DRD2PARP1 | |
| SCHEMBL8811949 | 0.92 | ADRA1A (0.43) | ADRA1AHSD11B1DRD2PARP1 | |
| SCHEMBL28299646 | 0.86 | DRD2 (0.38) | ADRA1AHSD11B1DRD2PARP1 | |
| SCHEMBL8815872 | 0.74 | ADRA1A (0.38) | ADRA1AHSD11B1DRD2 | |
| SCHEMBL8815866 | 0.74 | ADRA1A (0.38) | ADRA1AHSD11B1DRD2 | |
| Hydrochloric Acid SCHEMBL9867763 | 0.69 | ADRA1A (0.57) | ADRA1AHSD11B1DRD2HTR1A | |
| Hydrochloric Acid SCHEMBL9441223 | 0.68 | ACHE (0.63) | HSD11B1 | |
| Hydrochloric Acid SCHEMBL9441220 | 0.68 | ACHE (0.63) | HSD11B1 | |
| SCHEMBL8807616 | 0.67 | HTR1A (0.64) | HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0586525-B1 | CARBOXAMIDO-(1,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES | UPJOHN CO (US) | 1997-04-16 | — | — | EP | disclosed |
| US-5486611-A | CENTRAL NERVOUS SYSTEM | THE UPJOHN COMPANY (US) | 1996-01-23 | — | — | US | disclosed |
| WO-1992020655-A1 | CARBOXAMIDO-(1,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES | THE UPJOHN COMPANY (US) | 1992-11-26 | — | — | WO | disclosed |