Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028438 | 0.85 | NPC1 (0.54) | ALOX5NPC1RAB9A | |
| SCHEMBL6027901 | 0.83 | POLB (0.47) | ABCB1ALOX5NPC1RAB9APKM | |
| SCHEMBL6029060 | 0.80 | TDP1 (0.50) | NPC1RAB9ALMNA | |
| SCHEMBL6028416 | 0.79 | GAA (0.37) | ALOX5NPC1RAB9A | |
| SCHEMBL6028547 | 0.78 | ADORA2A (0.44) | NPC1RAB9ANR3C2LMNA | |
| SCHEMBL6028448 | 0.77 | LMNA (0.38) | RAB9ALMNA | |
| SCHEMBL6028495 | 0.72 | LMNA (0.38) | HPGDTAAR1LMNA | |
| SCHEMBL4663100 | 0.72 | HPGD (0.42) | ABCB1HPGDTAAR1ALOX5NPC1 | |
| SCHEMBL6204029 | 0.71 | NPC1 (0.55) | TAAR1NPC1RAB9APKM | |
| SCHEMBL7335269 | 0.70 | ABCB1 (0.80) | ABCB1TAAR1ABCG2KCNH2 |
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 |