Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | MDM4 | O15151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30281224 | 0.89 | KDM4E (0.40) | ACHEALDH1A1KDM4EHPGDGAA | |
| SCHEMBL5217067 | 0.89 | KDM4E (0.40) | ACHEALDH1A1KDM4EHPGDGAA | |
| Water SCHEMBL31616949 | 0.88 | KDM4E (0.39) | ACHEALDH1A1KDM4EHPGDGAA | |
| SCHEMBL31511963 | 0.78 | HPGD (0.38) | ALDH1A1HTR2AHTR2CHTR2BHPGD | |
| SCHEMBL17338043 | 0.78 | ACHE (0.44) | ACHEALDH1A1KDM4EHPGDGAA | |
| SCHEMBL28393372 | 0.74 | CHEK1 (0.38) | ALDH1A1KDM4EMAPT | |
| SCHEMBL4475236 | 0.74 | CTSV (0.45) | ALDH1A1HPGDMAPTSMN1; SMN2PDE4B | |
| SCHEMBL1546879 | 0.74 | CTSV (0.45) | ALDH1A1HPGDMAPTSMN1; SMN2PDE4B | |
| SCHEMBL29868992 | 0.70 | ACHE (0.58) | ACHEALDH1A1KDM4EHTR2AHTR2C | |
| SCHEMBL23188794 | 0.69 | ACHE (0.40) | ACHEALDH1A1KDM4EHTR2AHTR2C |
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 |