Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL6691972 | 0.92 | KEAP1 (0.36) | SMN1; SMN2KDM4EKEAP1ALDH1A1HTT | |
| SCHEMBL6693136 | 0.84 | KDM4E (0.38) | SMN1; SMN2KDM4EKEAP1ALDH1A1HSD17B10 | |
| SCHEMBL6689870 | 0.81 | POLB (0.44) | EPHX2SMN1; SMN2KDM4EKEAP1ALDH1A1 | |
| SCHEMBL6684514 | 0.80 | HRH3 (0.33) | — | |
| SCHEMBL3312644 | 0.79 | ALDH1A1 (0.47) | SMN1; SMN2KDM4EALDH1A1HTTTSHR | |
| SCHEMBL6687504 | 0.79 | HRH3 (0.36) | SMN1; SMN2 | |
| SCHEMBL6691974 | 0.77 | POLB (0.46) | SMN1; SMN2KDM4EKEAP1ALDH1A1HTT | |
| SCHEMBL3305208 | 0.77 | ALDH1A1 (0.53) | SMN1; SMN2ALDH1A1HTTTSHRPOLB | |
| SCHEMBL6690287 | 0.76 | KDM4E (0.40) | SMN1; SMN2KDM4EKEAP1ALDH1A1HSD17B10 | |
| SCHEMBL4376062 | 0.76 | SMN1; SMN2 (0.48) | EPHX2SMN1; SMN2KDM4EKEAP1ALDH1A1 |
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 |