Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.58 |
| ▸ | DRD3 | P35462 | 6/20 | 0.58 |
| ▸ | DRD1 | P21728 | 4/20 | 0.58 |
| ▸ | DRD4 | P21917 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | DRD5 | P21918 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10043008 | 0.86 | DRD2 (0.53) | DRD2DRD3DRD1DRD4CYP1A2 | |
| SCHEMBL339878 | 0.86 | DRD2 (0.53) | DRD2DRD3DRD1DRD4CYP1A2 | |
| SCHEMBL7024427 | 0.85 | DRD2 (0.68) | DRD2DRD3DRD1DRD4CYP1A2 | |
| SCHEMBL7029720 | 0.85 | DRD2 (0.68) | DRD2DRD3DRD1DRD4CYP1A2 | |
| SCHEMBL7788806 | 0.84 | DRD2 (0.70) | DRD2DRD3DRD1DRD4CYP1A2 | |
| SCHEMBL7788808 | 0.84 | DRD2 (0.70) | DRD2DRD3DRD1DRD4CYP1A2 | |
| SCHEMBL338954 | 0.83 | DRD2 (0.62) | DRD2DRD3DRD1DRD4CYP1A2 | |
| SCHEMBL3315993 | 0.83 | DRD2 (0.62) | DRD2DRD3DRD1DRD4CYP1A2 | |
| SCHEMBL6134728 | 0.77 | DRD2 (0.58) | DRD2DRD3DRD4CYP1A2CYP2D6 | |
| SCHEMBL6134727 | 0.77 | DRD2 (0.58) | DRD2DRD3DRD4CYP1A2CYP2D6 |
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-8097641-B2 | Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-01-17 | — | — | US | disclosed |