Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SLC19A2 | O60779 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL29955867 | 0.89 | ALDH1A1 (0.35) | ALDH1A1CCR1PDE3BPDE3AKDM5A | |
| SCHEMBL29950723 | 0.85 | ALDH1A1 (0.39) | ALDH1A1CCR1NOS2GAAMPI | |
| SCHEMBL24915248 | 0.85 | ALDH1A1 (0.39) | ALDH1A1CCR1NOS2GAAMPI | |
| SCHEMBL20920766 | 0.81 | NOS2 (0.33) | ALDH1A1NOS2TLR8KDM4EGAA | |
| SCHEMBL4982520 | 0.81 | KDM4E (0.38) | ALDH1A1NOS2TLR8KDM4EGAA | |
| SCHEMBL2557221 | 0.81 | FGFR4 (0.36) | ALDH1A1CCR1HPGDTSHRMPI | |
| SCHEMBL29950759 | 0.77 | SORD (0.46) | ALDH1A1CCR1MPIKMT2A | |
| SCHEMBL29956022 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CCR1MPIKMT2A | |
| SCHEMBL28281051 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CCR1MPIKMT2A | |
| SCHEMBL29956619 | 0.76 | ALDH1A1 (0.36) | ALDH1A1CCR1KDM5AKDM5BGAA |
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 |