Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 5/20 | 0.34 |
| ▸ | CTSS | P25774 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2522650 | 0.89 | KCNH2 (0.67) | KCNH2NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL20109296 | 0.88 | KCNH2 (0.68) | KCNH2NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL3630858 | 0.83 | GRIN2D (0.44) | KCNH2NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL7685870 | 0.82 | KCNH2 (0.59) | KCNH2NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL14234024 | 0.80 | KCNH2 (0.76) | KCNH2NOS1NOS2NPSR1 | |
| SCHEMBL24618394 | 0.78 | KCNH2 (0.55) | KCNH2NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL929721 | 0.78 | KCNH2 (0.55) | KCNH2NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL12844630 | 0.78 | KCNH2 (0.55) | KCNH2NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL4045371 | 0.78 | KCNH2 (0.61) | KCNH2NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL27800468 | 0.78 | KCNH2 (0.55) | KCNH2NOS1NOS2GRIN2DGRIN3B |
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 |