Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 9/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.57 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.57 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.57 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.57 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.57 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.57 |
| ▸ | ATXN2 | Q99700 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13137764 | 0.97 | ENPP2 (0.59) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL107143 | 0.90 | ENPP2 (0.59) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL104298 | 0.88 | ENPP2 (0.59) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL105753 | 0.87 | ENPP2 (0.62) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL105299 | 0.87 | GRIN2B (0.62) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL104636 | 0.86 | ENPP2 (0.59) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3053030 | 0.85 | ENPP2 (0.83) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL109667 | 0.85 | ENPP2 (0.61) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL172121 | 0.85 | GRIN2D (0.55) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL108207 | 0.83 | ENPP2 (0.61) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 |
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-2426106-A1 | Piperidine and Piperazine derivatives for the treatment of tumours | Merck Patent GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |