Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 11/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 11/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9130757 | 0.74 | BCHE (0.38) | RXRAGRIN1GRIN2BALDH1A1 | |
| SCHEMBL17066201 | 0.72 | ALDH1A1 (0.41) | ALDH1A1NPBWR1MCHR1 | |
| SCHEMBL2609436 | 0.70 | RXRA (0.44) | RXRAGRIN1GRIN2BHCAR1ALDH1A1 | |
| SCHEMBL5218447 | 0.64 | HPGD (0.43) | ALDH1A1 | |
| SCHEMBL5216919 | 0.64 | NPC1 (0.46) | ALDH1A1 | |
| SCHEMBL18254780 | 0.64 | RXRA (0.40) | RXRAGRIN1GRIN2BALDH1A1 | |
| SCHEMBL14328381 | 0.64 | DRD2 (0.44) | ALDH1A1 | |
| SCHEMBL19045843 | 0.64 | HRH3 (0.32) | — | |
| SCHEMBL9131851 | 0.63 | TDO2 (0.46) | ALDH1A1 | |
| SCHEMBL27909633 | 0.63 | BCHE (0.41) | ALDH1A1NPBWR1MCHR1 |
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-2739628-B1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-07 | — | — | EP | disclosed |