Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.61 |
| ▸ | CA1 | P00915 | 6/20 | 0.61 |
| ▸ | CA2 | P00918 | 6/20 | 0.61 |
| ▸ | CA9 | Q16790 | 6/20 | 0.61 |
| ▸ | DRD2 | P14416 | 4/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | STK17B | O94768 | 1/20 | 0.46 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23901545 | 0.87 | CA12 (0.58) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL25454117 | 0.86 | CA12 (0.56) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL25454118 | 0.86 | CA12 (0.56) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL14846343 | 0.86 | CA12 (0.60) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL25454115 | 0.85 | CA12 (0.56) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL19000426 | 0.84 | CA12 (0.56) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL29890066 | 0.84 | CA12 (0.56) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL29269342 | 0.82 | CA12 (0.58) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL30283382 | 0.82 | CA12 (0.58) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL30283341 | 0.82 | CA12 (0.61) | CA12CA1CA2CA9TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021202600-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |