Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 4/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | ADAMTS5 | Q9UNA0 | 5/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8204221 | 0.92 | ALOX5 (0.43) | ALOX5BACE1BACE2MEN1KMT2A | |
| SCHEMBL10263218 | 0.81 | ALOX5 (0.42) | ALOX5BACE1BACE2ADAMTS5MEN1 | |
| SCHEMBL13030985 | 0.76 | MCHR1 (0.47) | ALOX5OPRM1 | |
| Hydrochloric Acid SCHEMBL2432498 | 0.76 | ALOX5 (0.42) | ALOX5BACE1BACE2ADAMTS5MMP2 | |
| SCHEMBL3887374 | 0.75 | ALOX5 (0.36) | ALOX5BACE1BACE2SLC5A1USP2 | |
| SCHEMBL3493907 | 0.75 | ALOX5 (0.36) | ALOX5BACE1BACE2SLC5A1USP2 | |
| SCHEMBL13359125 | 0.75 | ALOX5 (0.34) | ALOX5BACE1BACE2SLC5A1CCR2 | |
| SCHEMBL8205035 | 0.75 | FAAH (0.44) | ALOX5BACE1USP2MEN1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL3479500 | 0.74 | BACE1 (0.58) | BACE1 | |
| Trifluoroacetic Acid SCHEMBL3479506 | 0.74 | BACE1 (0.58) | BACE1 |
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-2063889-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030412-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |