Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28241519 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPTL3MBTL1TDP1CTSD | |
| SCHEMBL4762870 | 0.79 | MAPT (0.56) | ALDH1A1MAPTL3MBTL1HRH3TSHR | |
| SCHEMBL232188 | 0.79 | MAPT (0.78) | ALDH1A1MAPTL3MBTL1HRH3TDP1 | |
| SCHEMBL549076 | 0.78 | ALDH1A1 (0.54) | ALDH1A1MAPTL3MBTL1PTPN1PTPRZ1 | |
| SCHEMBL5417854 | 0.77 | APP (0.46) | ALDH1A1MAPTL3MBTL1TDP1MAOA | |
| SCHEMBL6416019 | 0.76 | MAPT (0.74) | ALDH1A1MAPTL3MBTL1HRH3TDP1 | |
| SCHEMBL1562142 | 0.76 | MAPT (0.74) | ALDH1A1MAPTL3MBTL1HRH3TDP1 | |
| SCHEMBL9572889 | 0.76 | MAPT (0.52) | ALDH1A1MAPTL3MBTL1HRH3CA12 | |
| SCHEMBL17404465 | 0.76 | PTGS1 (0.59) | ALDH1A1CA12CA2CA9PTGS1 | |
| SCHEMBL566062 | 0.75 | ALDH1A1 (0.64) | ALDH1A1MAPTL3MBTL1HRH3TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2078019-A2 | PURINES AS PKC-THETA INHIBITORS | N.V. Organon (NL) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051826-A2 | PURINES AS PKC-THETA INHIBITORS | N.V. ORGANON (NL) | 2008-05-02 | — | — | WO | disclosed |