Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.42 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10444030 | 0.75 | CYP2C19 (0.51) | CYP2C19CA1CA2CA12CA9 | |
| SCHEMBL1733332 | 0.73 | CYP2C19 (0.50) | CYP2C19CA1CA2CA12CA9 | |
| SCHEMBL29950823 | 0.72 | LPL (0.40) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL4761586 | 0.72 | CA12 (0.49) | CYP2C19CA1CA2CA12CA9 | |
| SCHEMBL28852187 | 0.71 | CYP2C19 (0.47) | CYP2C19CA1CA2CA12CA9 | |
| SCHEMBL28196405 | 0.71 | CYP11B1 (0.53) | CYP2C19CA1CA2CA12CA9 | |
| SCHEMBL1564273 | 0.71 | CA12 (0.47) | CYP2C19CA1CA2CA12CA9 | |
| SCHEMBL5341374 | 0.71 | CA12 (0.51) | CYP2C19CA1CA2CA12CA9 | |
| SCHEMBL28129581 | 0.71 | CA12 (0.47) | CYP2C19CA1CA2CA12CA9 | |
| SCHEMBL2514239 | 0.70 | CYP2C19 (0.55) | CYP2C19CA1CA2CA12CA9 |
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 |