Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | ACP1 | P24666 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.35 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29417492 | 0.77 | ENPP2 (0.57) | ENPP2ALDH1A1KCNK3KCNK9L3MBTL1 | |
| SCHEMBL264406 | 0.77 | ENPP2 (0.57) | ENPP2ALDH1A1KCNK3KCNK9L3MBTL1 | |
| SCHEMBL2202666 | 0.77 | ENPP2 (0.57) | CA1CA2ENPP2ALDH1A1KDM4E | |
| SCHEMBL29952051 | 0.77 | ENPP2 (0.57) | CA1CA2ENPP2ALDH1A1KDM4E | |
| SCHEMBL29951489 | 0.76 | IRAK4 (0.39) | CA1CA2ENPP2ALDH1A1KDM4E | |
| SCHEMBL3139123 | 0.76 | GPR3 (0.42) | ALDH1A1L3MBTL1SCN9A | |
| SCHEMBL29951136 | 0.76 | ACP1 (0.41) | CA1CA2ACP1CYP11B1CYP11B2 | |
| SCHEMBL14013735 | 0.76 | PDE2A (0.38) | — | |
| SCHEMBL17157371 | 0.74 | CA1 (0.42) | CA1CA2ENPP2ALDH1A1HPGD | |
| SCHEMBL29953466 | 0.74 | CA1 (0.42) | CA1CA2ENPP2ALDH1A1HPGD |
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 |