Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LATS1 | O95835 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.38 |
| ▸ | PTPRB | P23467 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2023642 | 1.00 | CYP17A1 (0.50) | CYP17A1RAB9ALATS1AAK1CA12 | |
| SCHEMBL2028008 | 0.89 | CYP17A1 (0.50) | CYP17A1RAB9ALATS1AAK1GPR119 | |
| SCHEMBL1552723 | 0.87 | CA12 (0.50) | CA12CA1CA7CA14ENPEP | |
| SCHEMBL1350805 | 0.87 | CA12 (0.50) | CA12CA1CA7CA14ENPEP | |
| SCHEMBL1350802 | 0.87 | CA12 (0.50) | CA12CA1CA7CA14ENPEP | |
| SCHEMBL6107394 | 0.84 | KDM4E (0.43) | CA12CA1CA7CA14ENPEP | |
| SCHEMBL2573120 | 0.84 | BLM (0.50) | CA12CA1CA7CA14PTPRB | |
| SCHEMBL2982712 | 0.84 | BLM (0.50) | CA12CA1CA7CA14PTPRB | |
| SCHEMBL6107393 | 0.84 | KDM4E (0.43) | CA12CA1CA7CA14ENPEP | |
| SCHEMBL27540464 | 0.84 | CYP17A1 (0.53) | CYP17A1RAB9ALATS1AAK1CA12 |
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-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-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 |
| 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 |