Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953701 | 0.95 | NPSR1 (0.47) | NPSR1KDM4EALDH1A1LMNAGRM5 | |
| SCHEMBL29951388 | 0.86 | ALDH1A1 (0.50) | NPSR1ALDH1A1LMNACYP2C9NPY5R | |
| SCHEMBL29953830 | 0.86 | ALDH1A1 (0.59) | NPSR1ALDH1A1LMNAGRM5PTGS1 | |
| SCHEMBL11726388 | 0.86 | PTGS2 (0.46) | NPSR1ALDH1A1LMNASRCCA1 | |
| SCHEMBL15333698 | 0.85 | POLB (0.46) | NPSR1KDM4EALDH1A1LMNASRC | |
| SCHEMBL15332775 | 0.82 | LMNA (0.40) | NPSR1KDM4EALDH1A1LMNACA1 | |
| SCHEMBL29951589 | 0.81 | PTGS2 (0.39) | NPSR1KDM4ESRCBRAFKDR | |
| SCHEMBL15330588 | 0.80 | POLB (0.52) | NPSR1KDM4EALDH1A1LMNASRC | |
| SCHEMBL29954291 | 0.80 | RXRA (0.38) | NPSR1KDM4EALDH1A1LMNAPTGS2 | |
| SCHEMBL2556343 | 0.80 | HTT (0.36) | NPSR1KDM4EALDH1A1LMNAGRM5 |
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 |