Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 8/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 8/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 8/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 4/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31208175 | 0.81 | IDO1 (0.46) | KDM4EALDH1A1HPGDTGFBR1HSD17B10 | |
| SCHEMBL31208206 | 0.80 | TGFBR1 (0.52) | KDM4EALDH1A1HPGDGABRA1TGFBR1 | |
| SCHEMBL5769858 | 0.79 | GABRA1 (0.51) | GABRA1GABRG2GABRB3GABRA3TGFBR1 | |
| SCHEMBL14739394 | 0.75 | GAA (0.50) | KDM4EALDH1A1HPGDTGFBR1GLA | |
| SCHEMBL5773850 | 0.73 | GABRA1 (0.51) | GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL1407746 | 0.73 | KDM4E (0.60) | KDM4EALDH1A1HPGDHSD17B10IDO1 | |
| SCHEMBL17437980 | 0.72 | CYP1A2 (0.47) | KDM4EALDH1A1HPGDTGFBR1HSD17B10 | |
| SCHEMBL25967061 | 0.72 | KDM4E (0.47) | KDM4EALDH1A1HPGDTGFBR1HSD17B10 | |
| SCHEMBL30964084 | 0.72 | GAA (0.49) | KDM4EALDH1A1HPGDTGFBR1HSD17B10 | |
| SCHEMBL23535193 | 0.71 | KDM4E (0.48) | KDM4EALDH1A1HPGDTGFBR1HSD17B10 |
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 1 patent. 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 | disclosed |