Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.48 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | PFKFB1 | P16118 | 6/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 6/20 | 0.39 |
| ▸ | PFKFB2 | O60825 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28597332 | 0.89 | XDH (0.54) | XDHSTAT3PFKFB1PFKFB3PFKFB2 | |
| SCHEMBL28592975 | 0.78 | XDH (0.45) | XDHALDH1A1NR3C1PGRNR3C2 | |
| SCHEMBL28592963 | 0.78 | XDH (0.44) | XDHPFKFB1PFKFB3PFKFB2SMN1; SMN2 | |
| SCHEMBL28601590 | 0.77 | STAT3 (0.46) | XDHSTAT3SMN1; SMN2POLBALDH1A1 | |
| SCHEMBL28608931 | 0.77 | XDH (0.45) | XDHSTAT3SMN1; SMN2POLBALDH1A1 | |
| SCHEMBL28918220 | 0.76 | XDH (0.49) | XDHSTAT3SMN1; SMN2POLBALDH1A1 | |
| SCHEMBL2850331 | 0.75 | IMPDH2 (0.59) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28606116 | 0.74 | XDH (0.54) | XDHSTAT3SMN1; SMN2POLBMAPT | |
| SCHEMBL22803875 | 0.73 | POLB (0.37) | STAT3SMN1; SMN2POLBALDH1A1TSHR | |
| SCHEMBL24143651 | 0.70 | NR1D1 (0.51) | — |
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 |