Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 2/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5163056 | 0.93 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5162891 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5160150 | 0.85 | MEN1 (0.50) | ALDH1A1GAAKMT2AHDAC3HDAC4 | |
| SCHEMBL5157981 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5157860 | 0.80 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5158187 | 0.79 | MEN1 (0.48) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6443377 | 0.75 | CTSK (0.55) | — | |
| SCHEMBL6407703 | 0.74 | MMP1 (0.53) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL29522596 | 0.73 | ALDH1A1 (0.60) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5160354 | 0.71 | MEN1 (0.59) | ALDH1A1MAPTNPC1RAB9AGAA |
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-1753733-A1 | SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES | Avanir Pharmaceuticals (US) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005123700-A1 | SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES | AVANIR PHARMACEUTICALS (US) | 2005-12-29 | — | — | WO | disclosed |