Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7298460 | 0.91 | SIGMAR1 (0.42) | SIGMAR1SLC6A4SLC6A3 | |
| SCHEMBL7322676 | 0.88 | KCNH2 (0.42) | — | |
| SCHEMBL7292958 | 0.88 | KCNH2 (0.38) | SLC6A4SLC6A3 | |
| SCHEMBL7291776 | 0.87 | KCNH2 (0.47) | SLC6A4SLC6A3 | |
| SCHEMBL7289973 | 0.86 | SLC6A3 (0.44) | SLC6A3 | |
| SCHEMBL7379492 | 0.85 | SLC6A2 (0.48) | SIGMAR1SLC6A4SLC6A3 | |
| SCHEMBL7384166 | 0.85 | HTR1A (0.38) | SLC6A4SLC6A3 | |
| Fumaric Acid SCHEMBL9149646 | 0.82 | CCR2 (0.39) | — | |
| Fumaric Acid SCHEMBL9149650 | 0.82 | CCR2 (0.39) | — | |
| SCHEMBL7291484 | 0.82 | MAOA (0.37) | SLC6A4 |
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 |