Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | CPT2 | P23786 | 2/20 | 0.36 |
| ▸ | CPT1A | P50416 | 2/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19384227 | 0.91 | ENPP2 (0.49) | ENPP2KDM4EALDH1A1GRM5HRH3 | |
| SCHEMBL2404611 | 0.82 | ENPP2 (0.56) | ENPP2KDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL29957226 | 0.81 | CA1 (0.40) | ENPP2ACACBHRH3PDE4APDE4B | |
| SCHEMBL29957208 | 0.80 | ENPP2 (0.53) | ENPP2KDM4EALDH1A1ACACBSLC6A2 | |
| SCHEMBL29956831 | 0.78 | ENPP2 (0.51) | ENPP2KDM4EALDH1A1ACACBSLC6A2 | |
| SCHEMBL1905561 | 0.78 | CYP3A4 (0.43) | ALDH1A1ACACBACACAGRM5CYP11B1 | |
| SCHEMBL19384222 | 0.77 | SLC6A2 (0.55) | ACACBACACAGRM5CYP11B1CYP11B2 | |
| SCHEMBL19384485 | 0.77 | SLC6A2 (0.55) | ACACBACACAGRM5CYP11B1CYP11B2 | |
| SCHEMBL19384481 | 0.77 | SLC6A2 (0.55) | ACACBACACAGRM5CYP11B1CYP11B2 | |
| SCHEMBL14311598 | 0.77 | SLC6A2 (0.55) | ALDH1A1ACACBACACAGRM5SLC6A2 |
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 |