Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 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 | |
|---|---|---|---|---|
| SCHEMBL23197679 | 0.79 | TDP1 (0.56) | GSK3BALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL17778297 | 0.79 | NQO2 (0.47) | GSK3BALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL13680604 | 0.77 | GSK3B (0.42) | GSK3BALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL13680605 | 0.77 | HRH3 (0.50) | ALDH1A1HPGDKDM4ELMNAHSD17B10 | |
| SCHEMBL198803 | 0.75 | ERN1 (0.47) | PTGS2TDP1 | |
| SCHEMBL13680560 | 0.75 | GSK3B (0.59) | GSK3BALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL20782264 | 0.74 | ESR1 (0.44) | GSK3BALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL13680607 | 0.74 | HRH3 (0.57) | ALDH1A1HPGDKDM4ELMNAHSD17B10 | |
| SCHEMBL4444240 | 0.74 | GSK3B (0.57) | GSK3BALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL2319851 | 0.73 | TDP1 (0.48) | GSK3BALDH1A1HPGDKDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |