Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6689868 | 0.92 | EPHX2 (0.35) | KEAP1SMN1; SMN2HSD17B10KDM4EPOLB | |
| SCHEMBL6693136 | 0.88 | KDM4E (0.38) | KEAP1SMN1; SMN2HSD17B10KDM4EPOLB | |
| SCHEMBL4376062 | 0.82 | SMN1; SMN2 (0.48) | KEAP1SMN1; SMN2KDM4EPOLBL3MBTL1 | |
| SCHEMBL3305208 | 0.80 | ALDH1A1 (0.53) | SMN1; SMN2POLBHTTTSHRHRH3 | |
| SCHEMBL6691974 | 0.80 | POLB (0.46) | KEAP1SMN1; SMN2HSD17B10KDM4EPOLB | |
| SCHEMBL6688087 | 0.79 | HRH3 (0.36) | SMN1; SMN2POLBGAAHRH3MAPK1 | |
| SCHEMBL6690287 | 0.79 | KDM4E (0.40) | KEAP1SMN1; SMN2HSD17B10KDM4EPOLB | |
| SCHEMBL3312644 | 0.78 | ALDH1A1 (0.47) | SMN1; SMN2KDM4EPOLBHTTTSHR | |
| SCHEMBL347618 | 0.78 | USP2 (0.44) | KEAP1SMN1; SMN2HSD17B10KDM4EPOLB | |
| SCHEMBL6689870 | 0.77 | POLB (0.44) | KEAP1SMN1; SMN2KDM4EPOLBGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004069145-A2 | ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2004-08-19 | — | — | WO | disclosed |