Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | NPC1 | O15118 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL2352845 | 0.75 | PDE10A (0.35) | ALDH1A1KDM4EHSD17B10MAPK1NPSR1 | |
| SCHEMBL2257773 | 0.73 | KDM4E (0.41) | RAB9AALDH1A1NPC1KDM4EHPGD | |
| SCHEMBL5774204 | 0.72 | ALDH1A1 (0.43) | RAB9AALDH1A1NPC1KDM4EHPGD | |
| SCHEMBL2258043 | 0.70 | HPGD (0.41) | RAB9AALDH1A1NPC1KDM4EHPGD | |
| SCHEMBL2251442 | 0.65 | JAK2 (0.70) | RAB9AALDH1A1NPC1KDM4EHPGD | |
| SCHEMBL11821887 | 0.64 | HEXA (0.66) | ALDH1A1TP53MEN1KMT2ACYP1A2 | |
| SCHEMBL2145939 | 0.63 | MEN1 (0.47) | RAB9AALDH1A1NPC1KDM4EGAA | |
| SCHEMBL2253416 | 0.62 | ALDH1A1 (0.44) | RAB9AALDH1A1NPC1KDM4EHPGD | |
| SCHEMBL2144889 | 0.62 | PDPK1 (0.50) | RAB9AALDH1A1NPC1KDM4EHPGD | |
| SCHEMBL2144714 | 0.60 | JAK2 (0.60) | ALDH1A1KDM4EHPGDGAAGLA |
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-2531503-A1 | GAMMA SECRETASE MODULATERS | F. Hoffmann-La Roche AG (CH) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011092272-A1 | GAMMA SECRETASE MODULATERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-04 | — | — | WO | disclosed |