Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.36 |
| ▸ | FPR3 | P25089 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL3987101 | 0.85 | CTSB (0.46) | CTSBCTSSCTSKEGFRRAF1 | |
| SCHEMBL245327 | 0.84 | CTSB (0.45) | CTSBCTSSCTSKEGFRRAF1 | |
| SCHEMBL28294256 | 0.83 | CTSB (0.47) | CTSBCTSSCTSKEGFRRAF1 | |
| SCHEMBL243147 | 0.82 | AAK1 (0.43) | CTSBCTSSCTSKEGFRRAF1 | |
| SCHEMBL246643 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2MEN1KMT2AL3MBTL1NPC1 | |
| SCHEMBL15124774 | 0.79 | AAK1 (0.45) | CTSBCTSSCTSKEGFRRAF1 | |
| SCHEMBL31292829 | 0.79 | AAK1 (0.46) | CTSBCTSSCTSKAAK1SMN1; SMN2 | |
| SCHEMBL244890 | 0.79 | AAK1 (0.45) | CTSBCTSSCTSKEGFRRAF1 | |
| SCHEMBL244455 | 0.78 | AAK1 (0.43) | CTSBCTSSCTSKAAK1SMN1; SMN2 | |
| SCHEMBL2175047 | 0.78 | AAK1 (0.42) | CTSBCTSSCTSKEGFRRAF1 |
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 |