Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | GSK3A | P49840 | 1/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | CDC7 | O00311 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.47 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2235025 | 0.96 | ALDH1A1 (0.71) | ALDH1A1TDP1AURKAGSK3AGSK3B | |
| Hydrochloric Acid SCHEMBL6608463 | 0.95 | ALDH1A1 (0.69) | ALDH1A1TDP1AURKAGSK3AGSK3B | |
| SCHEMBL15875692 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TDP1AURKAGSK3AGSK3B | |
| Pyridine SCHEMBL28042115 | 0.86 | ALDH1A1 (0.79) | ALDH1A1TDP1AURKAGSK3AGSK3B | |
| SCHEMBL2958562 | 0.85 | ALDH1A1 (0.92) | ALDH1A1TDP1L3MBTL1PTPN1GAA | |
| Biphenyl SCHEMBL7209601 | 0.83 | ALDH1A1 (0.96) | ALDH1A1TDP1L3MBTL1PTPN1GAA | |
| SCHEMBL30196067 | 0.81 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1PTPN1GAA | |
| SCHEMBL44392 | 0.81 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1PTPN1GAA | |
| Benzene SCHEMBL28038982 | 0.81 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1PTPN1GAA | |
| SCHEMBL10452694 | 0.80 | ALDH1A1 (0.69) | ALDH1A1TDP1AURKAGSK3AGSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014109814-A9 | METAL COMPLEXES, METHODS, AND USES THEREOF | ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2014-08-14 | — | — | WO | disclosed |
| WO-2014109814-A2 | METAL COMPLEXES, METHODS, AND USES THEREOF | ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2014-07-17 | — | — | WO | disclosed |