Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 5/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 8/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL592180 | 0.72 | ALDH1A1 (0.37) | OPRM1OPRL1BACE1USP2ALDH1A1 | |
| SCHEMBL5534561 | 0.70 | BACE1 (0.39) | BACE1 | |
| SCHEMBL8212601 | 0.64 | USP2 (0.37) | OPRM1OPRL1BACE1USP2ALDH1A1 | |
| SCHEMBL8205035 | 0.59 | FAAH (0.44) | OPRM1OPRL1BACE1USP2ALDH1A1 | |
| SCHEMBL3493907 | 0.58 | ALOX5 (0.36) | BACE1USP2ALDH1A1MAPK1CYP2D6 | |
| SCHEMBL592637 | 0.58 | ADORA3 (0.42) | BACE1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8240030 | 0.58 | ALOX5 (0.40) | OPRM1OPRL1BACE1ALDH1A1MAPK1 | |
| SCHEMBL25258942 | 0.58 | AR (0.55) | HSD11B1ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL30381901 | 0.58 | AR (0.55) | HSD11B1ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL1642635 | 0.58 | HSD11B1 (0.64) | HSD11B1OPRM1OPRL1USP2ALDH1A1 |
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-1804794-A2 | SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006044497-A2 | SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER’S DISEASE | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |