Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | RARA | P10276 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARG | P13631 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | ASPH | Q12797 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.34 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28878093 | 1.00 | XDH (0.43) | XDHSLC22A12CFTRHTR2CRARA | |
| SCHEMBL3312155 | 0.87 | XDH (0.43) | XDHSLC22A12CFTRHTR2CRARA | |
| SCHEMBL29967942 | 0.85 | HTR2C (0.39) | XDHSLC22A12CFTRHTR2CRARA | |
| SCHEMBL28878067 | 0.85 | HTR2C (0.39) | XDHSLC22A12CFTRHTR2CRARA | |
| SCHEMBL28878138 | 0.81 | CFTR (0.44) | CFTRHTR2CALDH1A1HPGDKDM4E | |
| SCHEMBL29967405 | 0.81 | CFTR (0.44) | CFTRHTR2CALDH1A1HPGDKDM4E | |
| SCHEMBL28878096 | 0.77 | XDH (0.37) | XDHSLC22A12RARARARBRARG | |
| SCHEMBL25403991 | 0.74 | ALDH1A1 (0.41) | RARARARBRARGALDH1A1HPGD | |
| SCHEMBL31347699 | 0.74 | ALDH1A1 (0.41) | RARARARBRARGALDH1A1HPGD | |
| SCHEMBL26650926 | 0.74 | PRNP (0.38) | XDHSLC22A12ALDH1A1HPGDKDM4E |
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-115260180-B | Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115260180-A | Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-01 | — | — | CN | disclosed |