Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 15/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7327668 | 1.00 | GRIN2B (0.48) | GRIN2BBCHEACHEBACE1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7321420 | 0.99 | GRIN2B (0.47) | GRIN2BBCHEACHEBACE1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7321428 | 0.99 | GRIN2B (0.47) | GRIN2BBCHEACHEBACE1ALDH1A1 | |
| SCHEMBL7323800 | 0.81 | ACHE (0.51) | GRIN2BBCHEACHEBACE1 | |
| SCHEMBL7323804 | 0.81 | ACHE (0.51) | GRIN2BBCHEACHEBACE1 | |
| SCHEMBL467140 | 0.77 | BCHE (0.50) | BCHEACHEBACE1 | |
| SCHEMBL467141 | 0.77 | BCHE (0.50) | BCHEACHEBACE1 | |
| SCHEMBL467142 | 0.77 | BCHE (0.50) | BCHEACHEBACE1 | |
| SCHEMBL7322347 | 0.77 | BCHE (0.50) | BCHEACHEBACE1 | |
| SCHEMBL7330615 | 0.75 | GRIN2B (0.50) | GRIN2BACHEBACE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5532243-A | SIGMA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| EP-0626949-A1 | ANTIPSYCHOTIC NITROGEN-CONTAINING BICYCLIC COMPOUNDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-12-07 | — | — | EP | disclosed |
| WO-1993016050-A1 | ANTIPSYCHOTIC NITROGEN-CONTAINING BICYCLIC COMPOUNDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |