Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29957229 | 0.87 | MAPK1 (0.34) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL23469759 | 0.84 | CYP1A2 (0.37) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL16298947 | 0.80 | CA12 (0.38) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL15332378 | 0.79 | PIK3CD (0.48) | — | |
| SCHEMBL15333132 | 0.79 | CA12 (0.36) | CA12CA1CA2CA9 | |
| SCHEMBL29952647 | 0.76 | — | — | |
| Formic Acid SCHEMBL11241322 | 0.74 | CA1 (0.44) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL2561360 | 0.74 | CA12 (0.30) | CA12CA1CA2CA9 | |
| SCHEMBL23374585 | 0.74 | — | — | |
| SCHEMBL7673096 | 0.74 | CYP1A2 (0.36) | CYP1A2MAPK1CA12CA1CA2 |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |