Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27808390 | 0.81 | NPC1 (0.45) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL243147 | 0.80 | AAK1 (0.43) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL27911497 | 0.78 | SMN1; SMN2 (0.41) | NPC1ALDH1A1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL2171913 | 0.76 | NPC1 (0.41) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL2173327 | 0.73 | MEN1 (0.40) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL28294257 | 0.73 | NPC1 (0.40) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL2580865 | 0.72 | AAK1 (0.45) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL3987101 | 0.72 | CTSB (0.46) | NPC1RAB9ASMN1; SMN2MAPK1MEN1 | |
| SCHEMBL2175561 | 0.72 | SMN1; SMN2 (0.36) | ALDH1A1LMNASMN1; SMN2MAPK1MEN1 | |
| SCHEMBL31679784 | 0.71 | MEN1 (0.40) | LMNASMN1; SMN2MAPK1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102985412-A | 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 | 2013-03-20 | — | — | CN | disclosed |