Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028420 | 0.74 | MEN1 (0.37) | GAALMNAALDH1A1NPC1RAB9A | |
| SCHEMBL6028448 | 0.73 | LMNA (0.38) | GAALMNAALDH1A1RAB9AL3MBTL1 | |
| SCHEMBL4663013 | 0.72 | GAA (0.42) | GAALMNAALDH1A1NPC1RAB9A | |
| SCHEMBL6029060 | 0.71 | TDP1 (0.50) | LMNAALDH1A1NPC1RAB9ATDP1 | |
| SCHEMBL6028416 | 0.71 | GAA (0.37) | GAAALDH1A1NPC1RAB9ATDP1 | |
| SCHEMBL6028547 | 0.71 | ADORA2A (0.44) | GAALMNAALDH1A1NPC1RAB9A | |
| SCHEMBL6028495 | 0.69 | LMNA (0.38) | GAALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL6027901 | 0.69 | POLB (0.47) | GAALMNAALDH1A1NPC1RAB9A | |
| SCHEMBL6028905 | 0.68 | KDM4E (0.44) | LMNAALDH1A1POLBMEN1KMT2A | |
| SCHEMBL6028438 | 0.68 | NPC1 (0.54) | ALDH1A1NPC1RAB9ANFKB1NFKB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689729-A1 | TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE | F. Hoffmann-La Roche AG (CH) | 2006-08-16 | — | — | EP | claimed |
| WO-2005058857-A1 | TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | claimed |
| EP-1689729-A1 | TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE | F. Hoffmann-La Roche AG (CH) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005058857-A1 | TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |