Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | ICMT | O60725 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL28702996 | 0.92 | XDH (0.48) | XDHLMNARECQLVCAM1ALDH1A1 | |
| SCHEMBL28610397 | 0.84 | VCAM1 (0.43) | XDHLMNAVCAM1ALDH1A1STAT3 | |
| SCHEMBL28592963 | 0.80 | XDH (0.44) | XDHLMNARECQLVCAM1ALDH1A1 | |
| SCHEMBL28608931 | 0.79 | XDH (0.45) | XDHALDH1A1STAT3POLBGAA | |
| SCHEMBL28591152 | 0.76 | XDH (0.45) | XDHLMNAVCAM1ALDH1A1GAA | |
| SCHEMBL2845693 | 0.76 | IMPDH2 (0.51) | LMNAVCAM1ALDH1A1GAAMAPT | |
| SCHEMBL28610431 | 0.76 | XDH (0.45) | XDHLMNAVCAM1ALDH1A1STAT3 | |
| SCHEMBL28597242 | 0.73 | XDH (0.45) | XDHLMNARECQLVCAM1ALDH1A1 | |
| SCHEMBL28918792 | 0.73 | MEN1 (0.47) | XDHLMNAVCAM1ALDH1A1GAA | |
| SCHEMBL28593959 | 0.73 | XDH (0.50) | XDHALDH1A1STAT3POLBGAA |
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-113173918-B | N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof | 沈阳药科大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-113173918-A | N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof | 沈阳药科大学 | 2021-07-27 | — | — | CN | disclosed |