Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.59 |
| ▸ | RELA | Q04206 | 1/20 | 0.59 |
| ▸ | MMP1 | P03956 | 14/20 | 0.59 |
| ▸ | MMP2 | P08253 | 14/20 | 0.59 |
| ▸ | MMP9 | P14780 | 14/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31188414 | 1.00 | NPC1 (0.61) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL6380999 | 0.85 | RAB9A (0.70) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL6380992 | 0.85 | RAB9A (0.70) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL13212214 | 0.83 | AKT1 (0.58) | MAPTMMP1MMP2MMP9MAOB | |
| SCHEMBL28653222 | 0.80 | NPC1 (0.76) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL31188413 | 0.80 | NPC1 (0.76) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL22441647 | 0.75 | LMNA (0.60) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL22441645 | 0.75 | LMNA (0.60) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL28316655 | 0.75 | MMP1 (1.00) | MMP1MMP2MMP9MAOB | |
| SCHEMBL14757343 | 0.74 | NPC1 (1.00) | NPC1RAB9AKDM4EALDH1A1MAPT |
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-113603657-A | Thiazolyl-containing propenone derivative and application thereof in preparation of kinase inhibitor | 北京工业大学 | 2021-11-05 | — | — | CN | disclosed |