Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | S100B | P04271 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | THRB | P10828 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14129042 | 0.91 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| SCHEMBL60000 | 0.85 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| SCHEMBL59999 | 0.85 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| SCHEMBL13084384 | 0.85 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| SCHEMBL9685935 | 0.83 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| SCHEMBL22577661 | 0.83 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| SCHEMBL340770 | 0.83 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| Water SCHEMBL15846002 | 0.83 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| SCHEMBL1374708 | 0.83 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 | |
| Ammonia Solution, Strong SCHEMBL2273341 | 0.83 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1KDM4EGLAPTGS2 |
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-2016010402-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2016-01-21 | — | — | WO | disclosed |