Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18309954 | 0.89 | HPGD (0.41) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL30101870 | 0.88 | MAPT (0.40) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL15958500 | 0.88 | MAPT (0.40) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL14428293 | 0.84 | KEAP1 (0.40) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL14678793 | 0.82 | NR1H2 (0.43) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL26213031 | 0.82 | NR1H2 (0.43) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL13694467 | 0.82 | NR1H2 (0.43) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL17032284 | 0.81 | HPGD (0.38) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL23551026 | 0.80 | HPGD (0.48) | HPGDRECQLMEN1ALDH1A1MAPT | |
| SCHEMBL15227164 | 0.80 | NR1H2 (0.49) | HPGDRECQLMEN1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016100349-A2 | BICYCLIC AZAHETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2016-06-23 | — | — | WO | disclosed |