Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 7/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL340898 | 0.89 | GABRA1 (0.39) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL340683 | 0.87 | GABRA1 (0.37) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL341136 | 0.82 | GABRA1 (0.43) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL339264 | 0.81 | GABRA1 (0.51) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6990798 | 0.81 | GABRA1 (0.42) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2646459 | 0.80 | GABRA1 (0.41) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL341245 | 0.79 | GABRA1 (0.52) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL341429 | 0.79 | GABRA1 (0.41) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL342118 | 0.78 | GABRA1 (0.40) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL340433 | 0.78 | KDM4E (0.40) | KDM4EHPGDHSD17B10DPP4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6319924-B1 | FOR THERAPY OF DELETERIOUS MENTAL STATES | MERCK SHARP & DOHME LTD. (GB) | 2001-11-20 | — | — | US | claimed |
| US-6319924-B1 | FOR THERAPY OF DELETERIOUS MENTAL STATES | MERCK SHARP & DOHME LTD. (GB) | 2001-11-20 | — | — | US | disclosed |
| EP-1056747-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999037649-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |