Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 3/20 | 0.32 |
| ▸ | DRD3 | P35462 | 3/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL10504881 | 0.84 | PARP1 (0.42) | ADRA1ADRD2DRD3KDM4E | |
| SCHEMBL10836323 | 0.83 | CYP19A1 (0.46) | ADRA1ACYP1A2CYP19A1DRD2DRD3 | |
| SCHEMBL9457736 | 0.78 | CYP1A2 (0.42) | ADRA1ACYP1A2CYP19A1ARDRD2 | |
| SCHEMBL10835925 | 0.77 | ADRA1A (0.43) | ADRA1ACYP1A2CYP19A1ARDRD2 | |
| SCHEMBL29944713 | 0.73 | POLL (0.48) | ADRA1ACYP1A2CYP19A1DRD2DRD3 | |
| SCHEMBL20269738 | 0.73 | POLL (0.48) | ADRA1ACYP1A2CYP19A1DRD2DRD3 | |
| SCHEMBL10504886 | 0.71 | CA1 (0.43) | DRD2MTNR1AMTNR1B | |
| SCHEMBL9458168 | 0.69 | DRD2 (0.44) | DRD2DRD3CHRM2CHRM1CHRM3 | |
| SCHEMBL10836107 | 0.69 | CYP19A1 (0.46) | CYP19A1DRD2DRD3 | |
| SCHEMBL9361544 | 0.68 | CA1 (0.45) | ADRA1ACYP1A2CYP19A1DRD2DRD3 |
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-4618683-A | Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives | ABBOTT LABORATORIES (US) | 1986-10-21 | — | — | US | disclosed |