Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 17/20 | 0.96 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.86 |
| ▸ | CA1 | P00915 | 10/20 | 0.73 |
| ▸ | CA9 | Q16790 | 10/20 | 0.73 |
| ▸ | CA12 | O43570 | 6/20 | 0.73 |
| ▸ | CA7 | P43166 | 5/20 | 0.58 |
| ▸ | CA5A | P35218 | 3/20 | 0.58 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.58 |
| ▸ | CA4 | P22748 | 2/20 | 0.58 |
| ▸ | CA6 | P23280 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | AKT1 | P31749 | 1/20 | 0.56 |
| ▸ | GAB1 | Q13480 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9126817 | 1.00 | CA2 (0.96) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL10661919 | 1.00 | CA2 (0.96) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL7898294 | 1.00 | CA2 (0.96) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL17817182 | 1.00 | CA2 (0.96) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL78265 | 1.00 | CA2 (0.96) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL607046 | 0.98 | CA2 (1.00) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL607623 | 0.92 | CA2 (1.00) | CA2SMN1; SMN2CA1CA9CA12 | |
| Acetic Acid SCHEMBL28872225 | 0.90 | CA2 (0.84) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL18122304 | 0.87 | CA2 (0.89) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL671936 | 0.85 | CA2 (1.00) | CA2SMN1; SMN2CA1CA9CA12 |
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-108358933-B | Preparation method of polysubstituted pyrrole compound | 华南理工大学 | 2021-09-14 | — | — | CN | disclosed |