Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | APP | P05067 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20109276 | 0.84 | KCNH2 (0.47) | KCNH2APPNPSR1NOS1NOS2 | |
| SCHEMBL20109296 | 0.77 | KCNH2 (0.68) | KCNH2NPSR1NOS1NOS2GRIN2D | |
| SCHEMBL3630858 | 0.77 | GRIN2D (0.44) | KCNH2NPSR1NOS1NOS2GRIN2D | |
| SCHEMBL523040 | 0.72 | KCNH2 (0.55) | KCNH2APPNPSR1NOS1NOS2 | |
| SCHEMBL20109293 | 0.72 | KCNH2 (0.55) | KCNH2NPSR1NOS1NOS2GRIN2D | |
| SCHEMBL22002408 | 0.67 | GRIN2D (0.42) | KCNH2NPSR1NOS1NOS2GRIN2D | |
| SCHEMBL16015472 | 0.67 | KCNH2 (0.53) | KCNH2APPNPSR1NOS1NOS2 | |
| SCHEMBL20108965 | 0.66 | MTNR1A (0.47) | KCNH2NPSR1 | |
| SCHEMBL1404092 | 0.65 | KCNH2 (0.83) | KCNH2NPSR1NOS1NOS2 | |
| SCHEMBL522831 | 0.65 | KCNH2 (0.56) | KCNH2NPSR1NOS1NOS2GRIN2D |
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-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |