Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | DRD3 | P35462 | 12/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.49 |
| ▸ | DRD2 | P14416 | 9/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5111009 | 0.90 | DRD3 (0.51) | DRD3KCNH2DRD2 | |
| SCHEMBL5105877 | 0.85 | DRD3 (0.48) | DRD3KCNH2DRD2 | |
| SCHEMBL5102080 | 0.84 | DRD3 (0.67) | DRD3KCNH2DRD2 | |
| SCHEMBL5098346 | 0.84 | DRD3 (0.48) | DRD3KCNH2DRD2 | |
| SCHEMBL5111453 | 0.82 | DRD3 (0.51) | DRD3KCNH2DRD2 | |
| SCHEMBL5112367 | 0.82 | DRD3 (0.49) | DRD3KCNH2DRD2 | |
| SCHEMBL5104991 | 0.81 | DRD3 (0.61) | DRD3KCNH2DRD2 | |
| SCHEMBL5098279 | 0.80 | DRD3 (0.49) | DRD3KCNH2DRD2 | |
| SCHEMBL5098397 | 0.80 | DRD3 (0.51) | DRD3KCNH2DRD2 | |
| SCHEMBL5104990 | 0.80 | DRD3 (0.54) | DRD3KCNH2DRD2 |
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-7429579-B2 | Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) | SMITHKLINE BEECHAM, PLC (GB) | 2008-09-30 | — | — | US | disclosed |