Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 7/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28878138 | 1.00 | CFTR (0.44) | CFTRNOTUMHTR2CMAPTCES2 | |
| SCHEMBL28878093 | 0.81 | XDH (0.43) | CFTRNOTUMHTR2CCES2KDM4E | |
| SCHEMBL29967294 | 0.81 | XDH (0.43) | CFTRNOTUMHTR2CCES2KDM4E | |
| SCHEMBL29940836 | 0.80 | ABL1 (0.38) | CFTRMAPTCES2CA12CA1 | |
| SCHEMBL28878059 | 0.80 | ABL1 (0.38) | CFTRMAPTCES2CA12CA1 | |
| SCHEMBL29967942 | 0.80 | HTR2C (0.39) | CFTRHTR2CCES2MEN1ALDH1A1 | |
| SCHEMBL28878067 | 0.80 | HTR2C (0.39) | CFTRHTR2CCES2MEN1ALDH1A1 | |
| SCHEMBL23698953 | 0.78 | GAA (0.39) | CFTRMAPTCA12CA1CA2 | |
| SCHEMBL24947181 | 0.77 | CFTR (0.43) | CFTRNOTUMCES2CA12CA1 | |
| SCHEMBL30158281 | 0.77 | CA1 (0.38) | CFTRMAPTCA12CA1CA2 |
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 |