Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 8/20 | 0.37 |
| ▸ | RAB9A | P51151 | 8/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1570052 | 0.73 | MAPT (0.37) | NOTUMESR1ESR2NPC1RAB9A | |
| SCHEMBL8828114 | 0.70 | — | — | |
| SCHEMBL40478 | 0.69 | NOTUM (0.62) | NOTUMKIF11NPC1RAB9AKDM4E | |
| SCHEMBL26915 | 0.65 | KIF11 (0.70) | KIF11NPC1RAB9AKDM4EHTR1D | |
| SCHEMBL3423876 | 0.65 | KIF11 (0.70) | KIF11NPC1RAB9AKDM4EHTR1D | |
| SCHEMBL11627405 | 0.64 | SMN1; SMN2 (0.62) | SMN1; SMN2LMNAMAPTKMT2A | |
| SCHEMBL10085631 | 0.64 | KIF11 (0.42) | KIF11NPC1RAB9AKDM4EHTR1D | |
| SCHEMBL27987721 | 0.63 | KCNJ1 (0.43) | NOTUMNPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL1931781 | 0.62 | KIF11 (0.67) | KIF11NPC1RAB9AKDM4EHTR1D | |
| SCHEMBL9766725 | 0.62 | KIF11 (0.48) | NOTUMKIF11NPC1RAB9AKDM4E |
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-113999131-B | Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light | 苏州大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-113999131-A | Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light | 苏州大学 | 2022-02-01 | — | — | CN | disclosed |