Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29951124 | 0.89 | CA12 (0.38) | CA12CA9CA1CYP1A2CYP2D6 | |
| SCHEMBL24864482 | 0.88 | — | — | |
| SCHEMBL16006805 | 0.83 | CYP1A2 (0.32) | CYP1A2CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL29951308 | 0.83 | CYP1A2 (0.32) | CYP1A2CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL1380467 | 0.83 | CA12 (0.42) | CA12CA2CA9CA1CA14 | |
| SCHEMBL24727237 | 0.82 | — | — | |
| SCHEMBL8416737 | 0.79 | CA12 (0.39) | CA12CA2CA9CA1CA14 | |
| SCHEMBL16006808 | 0.78 | TDP1 (0.54) | CA12CA2CA9CA1CYP2C19 | |
| SCHEMBL23735951 | 0.78 | — | — | |
| SCHEMBL1461495 | 0.78 | ALDH1A1 (0.38) | CA12CA2CA9CA1CA14 |
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 |