Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NUDT15 | Q9NV35 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3050091 | 0.89 | ENPP2 (0.58) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL105676 | 0.81 | ENPP2 (0.62) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL15135277 | 0.78 | ENPP2 (0.66) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3051262 | 0.76 | ENPP2 (0.61) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL104926 | 0.75 | ENPP2 (0.67) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL2548653 | 0.75 | ENPP2 (0.66) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL105919 | 0.75 | ENPP2 (0.77) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL106566 | 0.74 | ENPP2 (0.59) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL105610 | 0.72 | ENPP2 (0.54) | ENPP2KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL1907303 | 0.72 | ENPP2 (0.67) | 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 4 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 | claimed |
| EP-2426106-B1 | Piperidine and Piperazine derivatives for the treatment of tumours | MERCK PATENT GMBH (DE) | 2013-07-31 | — | — | EP | disclosed |
| EP-2426106-A1 | Piperidine and Piperazine derivatives for the treatment of tumours | Merck Patent GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |