Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 5/20 | 0.50 |
| ▸ | DRD4 | P21917 | 5/20 | 0.50 |
| ▸ | DRD3 | P35462 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | IKBKE | Q14164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8861906 | 0.90 | SIGMAR1 (0.51) | SIGMAR1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL8861853 | 0.88 | SIGMAR1 (0.55) | SIGMAR1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL9050202 | 0.88 | SIGMAR1 (0.55) | SIGMAR1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL8861887 | 0.83 | AKT2 (0.44) | SIGMAR1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL8861838 | 0.81 | DRD4 (0.49) | SIGMAR1DRD2DRD4DRD3MAPT | |
| SCHEMBL8861843 | 0.80 | SIGMAR1 (0.60) | SIGMAR1ALDH1A1KDM4EFAAH | |
| SCHEMBL8861864 | 0.80 | CHRNB2 (0.51) | DRD2DRD4DRD3ALDH1A1KDM4E | |
| SCHEMBL8861907 | 0.80 | SIGMAR1 (0.54) | SIGMAR1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL9050212 | 0.79 | DRD4 (0.50) | SIGMAR1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL8861856 | 0.79 | SIGMAR1 (0.50) | SIGMAR1DRD2DRD4DRD3ALDH1A1 |
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 5 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 |
| US-5684006-A | Isoxazole and pyrazole derivatives as dopamine receptor subtype ligands | MERCK, SHARP & DOHME, LTD. (GB) | 1997-11-04 | — | — | US | disclosed |
| EP-0730582-A1 | ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014672-A1 | ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1995-06-01 | — | — | WO | disclosed |