Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 17/20 | 0.64 |
| ▸ | GABRG2 | P18507 | 17/20 | 0.64 |
| ▸ | GABRB3 | P28472 | 17/20 | 0.64 |
| ▸ | GABRA3 | P34903 | 16/20 | 0.64 |
| ▸ | GABRA5 | P31644 | 9/20 | 0.64 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5772109 | 0.88 | GABRA1 (0.61) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5769559 | 0.84 | GABRA1 (0.56) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5770982 | 0.83 | GABRA1 (0.46) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5770662 | 0.83 | GABRA1 (0.48) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5769610 | 0.82 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL6215587 | 0.82 | GABRA1 (0.71) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5769011 | 0.81 | GABRA1 (0.61) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5768526 | 0.80 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5767130 | 0.80 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5768259 | 0.80 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA3GABRA5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383768-B1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2006-09-06 | — | — | EP | claimed |
| EP-1383768-B1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2006-09-06 | — | — | EP | disclosed |