Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.55 |
| ▸ | DRD4 | P21917 | 9/20 | 0.54 |
| ▸ | DRD2 | P14416 | 8/20 | 0.54 |
| ▸ | DRD3 | P35462 | 8/20 | 0.54 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LSS | P48449 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8861853 | 0.95 | SIGMAR1 (0.55) | SIGMAR1DRD4DRD2DRD3IKBKB | |
| SCHEMBL8861906 | 0.92 | SIGMAR1 (0.51) | SIGMAR1DRD4DRD2DRD3LMNA | |
| SCHEMBL9050212 | 0.90 | DRD4 (0.50) | SIGMAR1DRD4DRD2DRD3IKBKB | |
| SCHEMBL8861925 | 0.88 | SIGMAR1 (0.60) | SIGMAR1DRD4DRD2DRD3ALDH1A1 | |
| SCHEMBL8861887 | 0.85 | AKT2 (0.44) | SIGMAR1DRD4DRD2DRD3LMNA | |
| SCHEMBL8861838 | 0.82 | DRD4 (0.49) | SIGMAR1DRD4DRD2DRD3MAPT | |
| SCHEMBL8861843 | 0.81 | SIGMAR1 (0.60) | SIGMAR1LMNAALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8861864 | 0.81 | CHRNB2 (0.51) | DRD4DRD2DRD3ALDH1A1SMN1; SMN2 | |
| SCHEMBL9050217 | 0.81 | DRD4 (0.48) | SIGMAR1DRD4DRD2DRD3IKBKB | |
| SCHEMBL8861907 | 0.81 | SIGMAR1 (0.54) | SIGMAR1DRD4DRD2DRD3ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730582-A1 | ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1996-09-11 | — | — | EP | claimed |
| WO-1995014672-A1 | ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1995-06-01 | — | — | WO | claimed |