Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
| ▸ | PAM | P19021 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CTRB1 | P17538 | 4/20 | 0.51 |
| ▸ | TACR1 | P25103 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP3 | P08254 | 1/20 | 0.49 |
| ▸ | MMP7 | P09237 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4291861 | 1.00 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1NPC1RAB9ACTSS | |
| SCHEMBL6192242 | 1.00 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1NPC1RAB9ACTSS | |
| SCHEMBL47716 | 0.89 | CTSS (0.65) | ALDH1A1NPC1RAB9ACTSSCTSK | |
| SCHEMBL5745614 | 0.89 | CTSS (0.65) | ALDH1A1NPC1RAB9ACTSSCTSK | |
| SCHEMBL13255164 | 0.89 | CTSS (0.65) | ALDH1A1NPC1RAB9ACTSSCTSK | |
| SCHEMBL13536303 | 0.86 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1NPC1RAB9ACTSS | |
| SCHEMBL16182414 | 0.86 | POLB (0.57) | ALDH1A1NPC1RAB9ACTSSCTSK | |
| SCHEMBL9109075 | 0.85 | HPGDS (0.56) | L3MBTL1MMEMMP3 | |
| SCHEMBL547222 | 0.85 | MME (0.67) | L3MBTL1MME | |
| SCHEMBL547223 | 0.85 | MME (0.67) | L3MBTL1MME |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689713-A4 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | MERCK & CO INC (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-1740581-A4 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2008-01-23 | — | — | EP | disclosed |
| 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 |
| EP-1740581-A1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER\"S DISEASE | Merck and Co., Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| EP-1689713-A1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | Merck & Co., Inc. (US) | 2006-08-16 | — | — | 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 |
| WO-2005103043-A1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE | MERCK & CO., INC. (US) | 2005-11-03 | — | — | WO | disclosed |
| WO-2005051914-A1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-06-09 | — | — | WO | disclosed |