Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTH | P32929 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | NPC1 | O15118 | 7/20 | 0.40 |
| ▸ | HTT | P42858 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | PKM | P14618 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL28660358 | 0.84 | CTH (0.44) | CTHRAB9AKDM4ENPC1HTT | |
| SCHEMBL28524097 | 0.80 | CTH (0.50) | CTHRAB9AKDM4ENPC1HTT | |
| SCHEMBL28643368 | 0.76 | RAB9A (0.58) | CTHRAB9AKDM4ENPC1HTT | |
| SCHEMBL28648148 | 0.73 | CTH (0.53) | CTHRAB9ANPC1HTTALDH1A1 | |
| SCHEMBL28663162 | 0.71 | CTH (0.45) | CTHRAB9AKDM4ENPC1HTT | |
| SCHEMBL19151318 | 0.67 | CTH (0.51) | CTHRAB9AKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL6714490 | 0.65 | RAB9A (0.55) | CTHRAB9AKDM4ENPC1HTT | |
| SCHEMBL6714484 | 0.65 | RAB9A (0.55) | CTHRAB9AKDM4ENPC1HTT | |
| SCHEMBL22342539 | 0.64 | CTH (0.51) | CTHRAB9AKDM4ENPC1GAA | |
| SCHEMBL22342567 | 0.64 | CTH (0.51) | CTHRAB9AKDM4ENPC1GAA |
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-109400625-B | Fused bicyclic compound and application thereof in medicine | 广东东阳光药业有限公司 | 2021-11-12 | — | — | CN | disclosed |