Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 6/20 | 0.62 |
| ▸ | PFKFB2 | O60825 | 1/20 | 0.41 |
| ▸ | PFKFB1 | P16118 | 1/20 | 0.41 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28613232 | 0.84 | XDH (0.61) | XDHPFKFB2PFKFB1PFKFB3 | |
| SCHEMBL28596775 | 0.82 | XDH (0.62) | XDHPFKFB2PFKFB1PFKFB3 | |
| SCHEMBL28597881 | 0.81 | XDH (0.62) | XDH | |
| SCHEMBL28606670 | 0.78 | XDH (0.59) | XDH | |
| SCHEMBL28409173 | 0.75 | XDH (0.69) | XDH | |
| SCHEMBL28918484 | 0.75 | XDH (0.66) | XDH | |
| SCHEMBL29992283 | 0.73 | XDH (0.55) | XDHPFKFB2PFKFB1PFKFB3 | |
| SCHEMBL28596767 | 0.73 | XDH (0.64) | XDH | |
| SCHEMBL1648971 | 0.71 | XDH (0.61) | XDH | |
| Hydrochloric Acid SCHEMBL28608925 | 0.70 | XDH (0.54) | XDHPFKFB2PFKFB1PFKFB3 |
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-113173917-B | 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof | 沈阳药科大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-113173917-A | 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof | 沈阳药科大学 | 2021-07-27 | — | — | CN | disclosed |