Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL9147570 | 0.94 | KCNH2 (0.42) | KCNH2DRD2DRD4DRD3CACNA1F | |
| Fumaric Acid SCHEMBL9147578 | 0.94 | KCNH2 (0.42) | KCNH2DRD2DRD4DRD3CACNA1F | |
| SCHEMBL7292071 | 0.92 | SIGMAR1 (0.49) | SIGMAR1 | |
| SCHEMBL7299887 | 0.88 | SLC6A4 (0.42) | KCNH2SIGMAR1OPRM1OPRK1SLC6A3 | |
| SCHEMBL7289129 | 0.86 | SLC6A4 (0.46) | SIGMAR1SLC6A3 | |
| SCHEMBL7291347 | 0.85 | DRD2 (0.42) | DRD2DRD4DRD3SLC6A3 | |
| SCHEMBL7291776 | 0.81 | KCNH2 (0.47) | KCNH2DRD2DRD4DRD3CACNA1F | |
| SCHEMBL7298566 | 0.79 | SLC6A2 (0.43) | SIGMAR1SLC6A3 | |
| SCHEMBL7322676 | 0.75 | KCNH2 (0.42) | KCNH2DRD2DRD4DRD3 | |
| SCHEMBL7292905 | 0.74 | KCNH2 (0.54) | KCNH2DRD2DRD4DRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458387-B1 | Isochromane derivatives | AKZO NOBEL NV (NL) | 1996-07-03 | — | — | EP | disclosed |
| US-5393759-A | Isochromane derivatives | AKZO N.V. (NL) | 1995-02-28 | — | — | US | disclosed |
| US-5238939-A | Isochromane derivatives | AKZO N.V. (NL) | 1993-08-24 | — | — | US | disclosed |
| EP-0458387-A1 | Isochromane derivatives | Akzo Nobel N.V. (NL) | 1991-11-27 | — | — | EP | disclosed |