Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 4/20 | 0.59 |
| ▸ | DRD3 | P35462 | 4/20 | 0.59 |
| ▸ | DRD4 | P21917 | 3/20 | 0.59 |
| ▸ | NCF1 | P14598 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14543394 | 0.94 | ALDH1A1 (0.68) | ALDH1A1HSD17B10DRD2DRD3DRD4 | |
| SCHEMBL23064593 | 0.87 | ALDH1A1 (0.67) | ALDH1A1HSD17B10DRD2DRD3DRD4 | |
| SCHEMBL11030895 | 0.85 | ALDH1A1 (0.65) | ALDH1A1HSD17B10DRD2DRD3DRD4 | |
| SCHEMBL3402455 | 0.84 | DRD2 (0.62) | ALDH1A1HSD17B10DRD2DRD3DRD4 | |
| SCHEMBL3418188 | 0.83 | DRD2 (0.87) | ALDH1A1DRD2DRD3DRD4NCF1 | |
| SCHEMBL9332845 | 0.80 | DRD2 (0.67) | ALDH1A1HSD17B10DRD2DRD3DRD4 | |
| SCHEMBL12126924 | 0.80 | DRD4 (0.73) | ALDH1A1HSD17B10DRD2DRD3DRD4 | |
| SCHEMBL8893443 | 0.80 | DRD2 (0.65) | ALDH1A1HSD17B10DRD2DRD3DRD4 | |
| SCHEMBL253112 | 0.79 | L3MBTL1 (0.64) | ALDH1A1HSD17B10DRD2DRD3DRD4 | |
| SCHEMBL3400411 | 0.79 | DRD2 (0.59) | DRD2DRD3NCF1ADRA1DADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012003418-A2 | FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2012-01-05 | — | — | WO | disclosed |