Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | APAF1 | O14727 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2646928 | 0.93 | GABRA1 (0.52) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL7670642 | 0.81 | DCTPP1 (0.44) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL4790043 | 0.80 | RXFP1 (0.46) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2646851 | 0.80 | GABRA1 (0.46) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL9690970 | 0.78 | BRD4 (0.51) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL341592 | 0.74 | GABRG2 (0.91) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL7978469 | 0.72 | BCHE (0.42) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2645905 | 0.71 | BRD4 (0.44) | HSD17B10ALDH1A1BRD4ADORA3ADORA2A | |
| SCHEMBL341615 | 0.71 | GABRA1 (0.61) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2647083 | 0.70 | PIM1 (0.45) | HSD17B10ALDH1A1SMN1; SMN2BRD4ADORA3 |
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-0915875-B1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-04-09 | — | — | EP | disclosed |
| US-6255305-B1 | PSYCHOLOGICAL DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-03 | — | — | US | disclosed |
| EP-0915875-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004559-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1998-02-05 | — | — | WO | disclosed |