Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 7/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27727808 | 0.78 | NOTUM (0.58) | NOTUMGRM5DRD2DRD3KDM4E | |
| SCHEMBL28632636 | 0.74 | NOTUM (0.47) | NOTUMDRD2DRD3KDM4EALDH1A1 | |
| SCHEMBL28646619 | 0.72 | NOTUM (0.63) | NOTUMALDH1A1MAPTHTT | |
| SCHEMBL7237232 | 0.70 | GRM5 (0.58) | NOTUMGRM5DRD2DRD3KDM4E | |
| SCHEMBL4702337 | 0.69 | GRM5 (0.55) | NOTUMGRM5DRD2DRD3KDM4E | |
| SCHEMBL27965992 | 0.68 | GRM5 (0.51) | NOTUMGRM5DRD2DRD3KDM4E | |
| SCHEMBL2391955 | 0.67 | GRM5 (0.67) | NOTUMGRM5MAPTCA12CA1 | |
| SCHEMBL31316756 | 0.67 | GRM5 (0.58) | NOTUMGRM5DRD2DRD3CA12 | |
| SCHEMBL11467421 | 0.67 | GRM5 (0.58) | NOTUMGRM5DRD2DRD3CA12 | |
| SCHEMBL15650355 | 0.66 | GRM5 (0.56) | NOTUMGRM5DRD2DRD3KDM4E |
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-113461624-B | Preparation method of selective mono-deuterated marker of mono-1-substituted 1,2, 3-triazole | 海南师范大学 | 2023-04-18 | — | — | CN | disclosed |
| CN-113461624-A | Preparation method of selective mono-deuterated marker of mono-1-substituted 1,2, 3-triazole | 海南师范大学 | 2021-10-01 | — | — | CN | disclosed |