Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 9/20 | 0.43 |
| ▸ | FPR3 | P25089 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL246520 | 0.84 | AAK1 (0.42) | AAK1FPR3FPR2NPC1RAB9A | |
| SCHEMBL244454 | 0.83 | AAK1 (0.48) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL253236 | 0.80 | AAK1 (0.50) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL27945123 | 0.80 | AAK1 (0.50) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL19266240 | 0.79 | AAK1 (0.51) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL18683054 | 0.78 | AAK1 (0.48) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL246563 | 0.78 | CTSB (0.43) | AAK1FPR3FPR2NPC1RECQL | |
| SCHEMBL15187901 | 0.77 | AAK1 (0.47) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL15187905 | 0.76 | AAK1 (0.47) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL12496679 | 0.76 | AAK1 (0.38) | AAK1FPR3FPR2NPC1RECQL |
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 |