Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.68 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.68 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.39 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19733249 | 0.83 | GRIN1 (0.81) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL19253188 | 0.83 | GRIN1 (0.81) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL4605996 | 0.82 | GRIN1 (0.68) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL1325195 | 0.81 | GRIN1 (0.67) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL19253189 | 0.81 | GRIN1 (1.00) | GRIN1GRIN2B | |
| SCHEMBL7353210 | 0.81 | GRIN1 (0.55) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL374356 | 0.81 | GRIN1 (0.55) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL30645499 | 0.80 | GRIN1 (0.58) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| Charcoal, Activated SCHEMBL4630579 | 0.80 | GRIN1 (0.53) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL13007746 | 0.79 | GRIN1 (0.60) | GRIN1GRIN2BCDK5CDK5R1NR1I3 |
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-6780853-B1 | FOR MODULATING BRAIN EXCITABILITY | EURO-CELTIQUE S.A. (LU) | 2004-08-24 | — | — | US | disclosed |
| EP-0837874-A2 | NEUROACTIVE STEROIDS OF THE ANDROSTANE AND PREGNANE SERIES | Cocensys, Inc. (US) | 1998-04-29 | — | — | EP | disclosed |
| WO-1996040043-A2 | NEUROACTIVE STEROIDS OF THE ANDROSTANE AND PREGNANE SERIES | COCENSYS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |