Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 5/20 | 0.32 |
| ▸ | CA2 | P00918 | 5/20 | 0.32 |
| ▸ | CA12 | O43570 | 4/20 | 0.32 |
| ▸ | CA9 | Q16790 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | FPR3 | P25089 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL244455 | 0.84 | AAK1 (0.43) | AAK1IDO1FPR3FPR2NPC1 | |
| SCHEMBL246519 | 0.82 | AAK1 (0.47) | AAK1IDO1MEN1NPC1HTT | |
| SCHEMBL245263 | 0.80 | AAK1 (0.49) | AAK1IDO1MEN1NPC1HTT | |
| SCHEMBL15839647 | 0.78 | AAK1 (0.47) | AAK1IDO1TDP1MEN1NPC1 | |
| SCHEMBL15839600 | 0.77 | AAK1 (0.47) | AAK1IDO1MEN1NPC1HTT | |
| SCHEMBL246145 | 0.73 | AAK1 (0.47) | AAK1IDO1MEN1NPC1HTT | |
| SCHEMBL25574990 | 0.72 | AAK1 (0.49) | AAK1IDO1CACNA1HCACNA1BCACNA1C | |
| SCHEMBL31706166 | 0.71 | CACNA1H (0.45) | AAK1IDO1CACNA1HCACNA1BCACNA1C | |
| SCHEMBL246563 | 0.71 | CTSB (0.43) | AAK1KDM4ACA1CA2CA12 | |
| SCHEMBL22664847 | 0.70 | AAK1 (0.45) | AAK1IDO1CACNA1HCACNA1BCACNA1C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585440-A1 | 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA | Janssen Pharmaceutica, N.V. (BE) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012000933-A1 | 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA | JANSSEN PHARMACEUTICA NV (BE) | 2012-01-05 | — | — | WO | disclosed |