Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | PLK1 | P53350 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL10489932 | 0.84 | CYP1A2 (0.59) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 | |
| SCHEMBL10490025 | 0.83 | CYP1A2 (0.54) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 | |
| SCHEMBL10489833 | 0.83 | METAP2 (0.55) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 | |
| SCHEMBL4839353 | 0.82 | PLK1 (0.67) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 | |
| SCHEMBL2320061 | 0.81 | SMN1; SMN2 (0.77) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 | |
| SCHEMBL5228861 | 0.80 | CYP1A2 (0.54) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 | |
| SCHEMBL19778994 | 0.80 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 | |
| SCHEMBL8108517 | 0.78 | PLK1 (0.63) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 | |
| SCHEMBL10489746 | 0.78 | METAP2 (0.55) | SMN1; SMN2CYP1A2CYP2C19KDM4EPLK1 | |
| SCHEMBL27685659 | 0.76 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1 |
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-1611089-A2 | HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LIMITED (GB) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004080376-A2 | HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE | GLAXO GROUP LIMITED (GB) | 2004-09-23 | — | — | WO | disclosed |