Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3550805 | 1.00 | CXCR4 (0.43) | CXCR4KCNH2ALDH1A1ATMMAPT | |
| SCHEMBL3551226 | 0.78 | PRMT6 (0.45) | KCNH2CARM1PRMT6SIGMAR1 | |
| SCHEMBL3550203 | 0.75 | ALDH1A1 (0.41) | KCNH2ALDH1A1 | |
| SCHEMBL3548356 | 0.74 | HSD17B2 (0.47) | ALDH1A1ATMMAPTCARM1PRMT6 | |
| SCHEMBL13344515 | 0.73 | TSHR (0.48) | ALDH1A1MAPTTSHRLMNAMEN1 | |
| SCHEMBL11375404 | 0.72 | HTR6 (0.56) | — | |
| SCHEMBL4278444 | 0.71 | ALDH1A1 (0.55) | CXCR4KCNH2ALDH1A1ATMMAPT | |
| SCHEMBL3548008 | 0.71 | ACHE (0.47) | SIGMAR1KMT2A | |
| SCHEMBL11469642 | 0.70 | HTR6 (0.50) | CXCR4ALDH1A1ATMMAPTKDM4E | |
| SCHEMBL2086898 | 0.70 | PNMT (0.48) | CXCR4KCNH2ALDH1A1ATMTAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1758854-A4 | PYRROLIDIN-3-YL COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-1758854-A1 | PYRROLIDIN-3-YL COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2006002004-A1 | PYRROLIDIN-3-YL COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-01-05 | — | — | WO | disclosed |