Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.73 |
| ▸ | RAB9A | P51151 | 4/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.73 |
| ▸ | GLA | P06280 | 3/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | GAPDH | P04406 | 3/20 | 0.66 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.58 |
| ▸ | MIF | P14174 | 2/20 | 0.58 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.58 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 5/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL20288536 | 0.91 | NPC1 (0.79) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL15286102 | 0.87 | NPC1 (0.85) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL28590377 | 0.87 | NPC1 (0.69) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL14880118 | 0.85 | NPC1 (1.00) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL28581210 | 0.84 | NPC1 (0.71) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL30108440 | 0.84 | NPC1 (0.71) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL16520513 | 0.84 | NPC1 (0.79) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL18523591 | 0.82 | NPC1 (0.77) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL31566290 | 0.82 | NPC1 (0.81) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL8115599 | 0.82 | NPC1 (0.77) | NPC1RAB9AKDM4EGLAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113121485-B | 3-aryl coumarin derivative and preparation method and application thereof | 中山大学 | 2023-01-03 | — | — | CN | disclosed |
| CN-113121485-A | 3-aryl coumarin derivative and preparation method and application thereof | 中山大学 | 2021-07-16 | — | — | CN | disclosed |