Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.33 |
| ▸ | USP8 | P40818 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29237696 | 1.00 | CA1 (0.36) | CA1CA2CA7CA9GRIA1 | |
| SCHEMBL29237709 | 0.81 | AHR (0.36) | GRIA1CACNG8AADATHTR2AHTR2C | |
| SCHEMBL29237776 | 0.81 | CA1 (0.36) | CA1CA2CA7CA9 | |
| SCHEMBL29237773 | 0.81 | CA1 (0.36) | CA1CA2CA7CA9 | |
| SCHEMBL29237710 | 0.81 | AHR (0.36) | GRIA1CACNG8AADATHTR2AHTR2C | |
| SCHEMBL29237941 | 0.81 | TDP2 (0.34) | KDM4EALDH1A1 | |
| SCHEMBL29237943 | 0.81 | TDP2 (0.34) | KDM4EALDH1A1 | |
| SCHEMBL16290337 | 0.78 | CA1 (0.41) | CA1CA2CA7CA9GRIA1 | |
| SCHEMBL29237743 | 0.78 | — | — | |
| SCHEMBL29237741 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118239862-A | Chiral monofluorone carbonyl substituted nitrile compound and preparation method and application thereof | 上海应用技术大学 | 2024-06-25 | — | — | CN | disclosed |