Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29448856 | 0.83 | CA1 (0.44) | CA1CA2HIF1ACTSDTSHR | |
| SCHEMBL9046640 | 0.80 | CA2 (0.55) | CA1CA2 | |
| SCHEMBL17395969 | 0.80 | TSHR (0.33) | CA1CA2USP2TSHRCA7 | |
| SCHEMBL7866810 | 0.77 | CA1 (0.41) | CA1CA2HIF1ACTSDUSP2 | |
| SCHEMBL3473720 | 0.75 | CA1 (0.37) | CA1CA2TSHR | |
| SCHEMBL14534529 | 0.75 | CA1 (0.37) | CA1CA2TSHR | |
| SCHEMBL17469430 | 0.72 | CHRM1 (0.35) | CA2TSHR | |
| SCHEMBL2826739 | 0.72 | HIF1A (0.50) | CA1CA2HIF1ACTSDTSHR | |
| SCHEMBL8743993 | 0.72 | CYP2D6 (0.33) | TSHR | |
| SCHEMBL2035661 | 0.72 | CHRM1 (0.35) | CA2TSHR |
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-116171154-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-05-26 | — | — | CN | disclosed |