Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 8/20 | 0.66 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.55 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.55 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.55 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.55 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.55 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.55 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ATXN2 | Q99700 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3041328 | 0.92 | ENPP2 (0.63) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL7959501 | 0.85 | ENPP2 (0.74) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL104294 | 0.83 | ENPP2 (0.65) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL15147358 | 0.82 | ENPP2 (0.64) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL3050762 | 0.82 | ENPP2 (0.83) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL107711 | 0.81 | ENPP2 (0.71) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL3051873 | 0.81 | ENPP2 (0.71) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL104926 | 0.80 | ENPP2 (0.67) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL8546370 | 0.80 | GRIN1 (0.82) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B | |
| SCHEMBL3041478 | 0.80 | ENPP2 (0.72) | ENPP2GRIN2BGRIN1GRIN2DGRIN3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2426106-B1 | Piperidine and Piperazine derivatives for the treatment of tumours | MERCK PATENT GMBH (DE) | 2013-07-31 | — | — | EP | claimed |
| EP-2426106-A1 | Piperidine and Piperazine derivatives for the treatment of tumours | Merck Patent GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2009046841-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS | MERCK PATENT GMBH (DE) | 2009-04-16 | — | — | WO | disclosed |