Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 19/20 | 0.75 |
| ▸ | GABRG2 | P18507 | 19/20 | 0.75 |
| ▸ | GABRB3 | P28472 | 19/20 | 0.75 |
| ▸ | GABRA5 | P31644 | 19/20 | 0.75 |
| ▸ | GABRA3 | P34903 | 19/20 | 0.75 |
| ▸ | GABRA2 | P47869 | 18/20 | 0.75 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.74 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.74 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL7958662 | 0.91 | GABRA1 (0.70) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7428486 | 0.91 | GABRG2 (0.61) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7479860 | 0.88 | GABRA1 (0.83) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7427005 | 0.86 | GABRA1 (0.74) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7473426 | 0.85 | GABRG2 (1.00) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7481189 | 0.85 | GABRA1 (0.62) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2461190 | 0.85 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7477715 | 0.85 | GABRA1 (0.75) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7477885 | 0.84 | GABRA1 (0.82) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7476127 | 0.84 | GABRA1 (0.76) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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-1131102-A2 | COMBINATION OF A GABA-A ALPHA 5 INVERSE AGONIST AND COX-2 INHIBITOR, NSAID, ESTROGEN OR VITAMIN E | Merck & Co., Inc. (US) | 2001-09-12 | — | — | EP | disclosed |
| EP-1061925-A1 | COMBINATION OF A GABA-A ALPHA 5 INVERSE AGONIST AND A NICOTINIC AGONIST | MERCK SHARP & DOHME LTD. (GB) | 2000-12-27 | — | — | EP | disclosed |
| WO-2000027382-A2 | COMBINATION OF A GABA-A ALPHA 5 INVERSE AGONIST AND COX-2 INHIBITOR, NSAID, ESTROGEN OR VITAMIN E | MERCK & CO., INC. (US) | 2000-05-18 | — | — | WO | disclosed |
| WO-1999047142-A1 | COMBINATION OF A GABA-A ALPHA 5 INVERSE AGONIST AND A NICOTINIC AGONIST | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-23 | — | — | WO | disclosed |