Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 6/20 | 0.47 |
| ▸ | CTSS | P25774 | 4/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28351629 | 0.88 | GRIK1 (0.46) | NPC1RAB9ASMN1; SMN2GRIK1GRIK2 | |
| SCHEMBL3819136 | 0.83 | CTSS (0.54) | NPC1RECQLRAB9ASMN1; SMN2CTSK | |
| SCHEMBL3819131 | 0.83 | CTSS (0.54) | NPC1RECQLRAB9ASMN1; SMN2CTSK | |
| SCHEMBL28186928 | 0.81 | ATM (0.46) | CTSKCTSSATMMAPTPPARG | |
| SCHEMBL2617247 | 0.80 | CTSS (0.59) | CTSKCTSSAAK1ATMCACNA1B | |
| SCHEMBL740136 | 0.80 | CTSS (0.59) | CTSKCTSSAAK1ATMCACNA1B | |
| SCHEMBL740135 | 0.80 | CTSS (0.59) | CTSKCTSSAAK1ATMCACNA1B | |
| SCHEMBL13897570 | 0.80 | CTSK (0.50) | NPC1RECQLRAB9ASMN1; SMN2CTSK | |
| SCHEMBL14746636 | 0.79 | ATM (0.48) | CTSKCTSSATMMAPTPPARG | |
| SCHEMBL14746637 | 0.79 | ATM (0.48) | CTSKCTSSATMMAPTPPARG |
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-107473982-B | Terminal substituted homoallylamine derivative and preparation method and application thereof | 四川大学 | 2020-01-14 | — | — | CN | disclosed |