Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.63 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | HTR7 | P34969 | 5/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3844094 | 0.85 | DRD2 (0.67) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL17226513 | 0.84 | DRD2 (0.63) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL3845986 | 0.84 | DRD2 (0.66) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4075439 | 0.84 | DRD2 (0.66) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL3843635 | 0.82 | DRD2 (0.64) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL3866800 | 0.82 | DRD2 (0.61) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL4502702 | 0.82 | ALDH1A1 (0.65) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL3844577 | 0.81 | DRD2 (0.62) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL4483840 | 0.81 | DRD2 (0.62) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL3844093 | 0.80 | DRD2 (0.61) | DRD2DRD3ALDH1A1SMN1; SMN2SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2038268-B1 | CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS | BIOPROJET SOC CIV (FR) | 2015-11-04 | — | — | EP | disclosed |