Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.36 |
| ▸ | USP2 | O75604 | 8/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | BACE1 | P56817 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 3/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 3/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3891195 | 1.00 | CYP3A4 (0.36) | CYP3A4USP2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8209403 | 0.87 | BACE1 (0.37) | BACE1 | |
| SCHEMBL3494461 | 0.87 | BACE1 (0.37) | BACE1 | |
| SCHEMBL3494462 | 0.87 | BACE1 (0.37) | BACE1 | |
| SCHEMBL3479516 | 0.86 | MAPK14 (0.39) | CYP3A4USP2CYP1A2BACE1MEN1 | |
| SCHEMBL3893080 | 0.86 | MAPK14 (0.39) | CYP3A4USP2CYP1A2BACE1MEN1 | |
| SCHEMBL3479619 | 0.84 | KCNJ6 (0.35) | CYP3A4USP2CYP1A2BACE1MEN1 | |
| SCHEMBL4249026 | 0.84 | KCNJ6 (0.35) | CYP3A4USP2CYP1A2BACE1MEN1 | |
| SCHEMBL13461566 | 0.82 | BACE1 (0.38) | BACE1MAPK1 | |
| SCHEMBL5326122 | 0.81 | ADORA3 (0.39) | CYP2C19BACE1KMT2AALDH1A1BACE2 |
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-2091328-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008054698-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-05-08 | — | — | WO | disclosed |