Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2475548 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRATMNPSR1MEN1 | |
| SCHEMBL2025215 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRATMNPSR1MEN1 | |
| Hydrochloric Acid SCHEMBL4517827 | 0.98 | ALDH1A1 (0.41) | ALDH1A1TSHRATMNPSR1MEN1 | |
| SCHEMBL8265360 | 0.88 | KDM4E (0.36) | ALDH1A1TSHRATM | |
| SCHEMBL8264271 | 0.88 | KDM4E (0.36) | ALDH1A1TSHRATM | |
| SCHEMBL4529337 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4564521 | 0.75 | POLB (0.36) | — | |
| SCHEMBL5182105 | 0.73 | — | — | |
| SCHEMBL2773094 | 0.73 | — | — | |
| SCHEMBL25140242 | 0.71 | ALDH1A1 (0.35) | ALDH1A1TSHRATM |
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-1817311-A2 | 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006057945-A2 | 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-06-01 | — | — | WO | disclosed |