Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 9/20 | 0.64 |
| ▸ | GABRG2 | P18507 | 9/20 | 0.64 |
| ▸ | GABRB3 | P28472 | 9/20 | 0.64 |
| ▸ | GABRA5 | P31644 | 9/20 | 0.64 |
| ▸ | GABRA3 | P34903 | 9/20 | 0.64 |
| ▸ | GABRA2 | P47869 | 9/20 | 0.64 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.64 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.64 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7479045 | 0.83 | GABRA1 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL31058084 | 0.79 | GABRA1 (0.58) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7475422 | 0.79 | GABRA1 (0.58) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL1258627 | 0.79 | GABRA1 (0.58) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2461190 | 0.78 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7208520 | 0.77 | GABRA1 (0.56) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6847244 | 0.77 | GABRA1 (0.74) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7960279 | 0.75 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7209133 | 0.74 | GABRA1 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7479860 | 0.74 | GABRA1 (0.83) | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6455552-B1 | ARECHOLINE AND 3-(5-METHYLISOXAZOL-3-YL)-6-(1-METHYL-1,2,3-TRIAZOL-4-YL)METHY LOXY-1,2,4-T RIAZOLO(3,4-A)PHTHALAZINE SUBTYPE FOR SEPARATE, SEQUENTIAL OR SIMULTANEOUS ADMINISTRATION. | MERCK SHARP & DOHME LTD. | 2002-09-24 | — | — | US | disclosed |
| US-6440967-B1 | Combination of a GABAA alpha 5 inverse agonist and COX-2 inhibitor, NSAID, estrogen or vitamin E | MERCK & CO., INC. | 2002-08-27 | — | — | US | disclosed |
| 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-1999047171-A1 | COMBINATION OF A GABA-A ALPHA 5 INVERSE AGONIST AND A MUSCARINIC AGONIST | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-23 | — | — | 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 |