Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.68 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL1404092 | 0.89 | KCNH2 (0.83) | KCNH2NOS2NOS1NPSR1GABRP | |
| SCHEMBL20109293 | 0.88 | KCNH2 (0.55) | KCNH2NOS2NOS1GRIN2DGRIN3B | |
| SCHEMBL14234024 | 0.85 | KCNH2 (0.76) | KCNH2NOS2NOS1NPSR1GABRP | |
| SCHEMBL12445671 | 0.83 | KCNH2 (0.73) | KCNH2NOS2NOS1NPSR1GABRP | |
| Hydrochloric Acid SCHEMBL26123438 | 0.83 | KCNH2 (0.96) | KCNH2 | |
| SCHEMBL248521 | 0.83 | KCNH2 (0.95) | KCNH2 | |
| Hydrochloric Acid SCHEMBL27939918 | 0.82 | KCNH2 (0.66) | KCNH2NOS2NOS1GRIN2DGRIN3B | |
| SCHEMBL24973117 | 0.81 | KCNH2 (1.00) | KCNH2 | |
| SCHEMBL31246249 | 0.81 | KCNH2 (1.00) | KCNH2 | |
| SCHEMBL10790586 | 0.81 | KCNH2 (1.00) | KCNH2 |
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 |