Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL10584169 | 0.73 | TRPA1 (0.33) | CA1CA2CA4 | |
| SCHEMBL9408672 | 0.73 | CA1 (0.31) | CA1CA2CA4 | |
| SCHEMBL20610546 | 0.71 | CA1 (0.50) | CA1CA2CA4 | |
| SCHEMBL8027800 | 0.71 | CA1 (0.30) | CA1CA2CA4 | |
| SCHEMBL16053179 | 0.71 | CA1 (0.30) | CA1CA2CA4 | |
| SCHEMBL873373 | 0.71 | CA1 (0.50) | CA1CA2CA4 | |
| SCHEMBL10453882 | 0.70 | KMT2A (0.52) | CA1CA2CA4 | |
| SCHEMBL16632646 | 0.68 | KMT2A (0.31) | — | |
| SCHEMBL11767704 | 0.67 | — | — | |
| SCHEMBL7627613 | 0.67 | CCR2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230046065-A1 | MERGING C(sp3)-H ACTIVATION WITH DNA-ENCODING | THE SCRIPPS RESEARCH INSTITUTE | 2023-02-16 | — | — | US | disclosed |