Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7299887 | 0.95 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6SIGMAR1 | |
| SCHEMBL7298566 | 0.91 | SLC6A2 (0.43) | SLC6A4SLC6A3SLC6A2CYP2D6SIGMAR1 | |
| SCHEMBL7289449 | 0.86 | KCNH2 (0.45) | SLC6A3SIGMAR1 | |
| SCHEMBL7291347 | 0.85 | DRD2 (0.42) | SLC6A3 | |
| SCHEMBL7294243 | 0.81 | SIGMAR1 (0.43) | SLC6A4SLC6A3SIGMAR1 | |
| Maleic Acid SCHEMBL9147570 | 0.81 | KCNH2 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6 | |
| Fumaric Acid SCHEMBL9147578 | 0.81 | KCNH2 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6 | |
| SCHEMBL7292071 | 0.78 | SIGMAR1 (0.49) | SIGMAR1 | |
| SCHEMBL7290627 | 0.77 | SLC6A2 (0.48) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL7290079 | 0.75 | — | — |
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 |