Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 6/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.34 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.34 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.34 |
| ▸ | NMT1 | P30419 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5382309 | 0.84 | MAPT (0.37) | — | |
| SCHEMBL14408342 | 0.83 | NMT1 (0.33) | PTGS2CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL5388589 | 0.83 | PTGS1 (0.37) | PTGS2 | |
| SCHEMBL8312732 | 0.83 | NMT1 (0.33) | PTGS2CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL5393189 | 0.81 | GRIN1 (0.39) | — | |
| SCHEMBL14408392 | 0.80 | SLC16A3 (0.36) | CCNT1CCNA2CDK2CDK9CDK5 | |
| SCHEMBL5393515 | 0.78 | SLC16A3 (0.37) | CCNT1CCNA2CDK2CDK9CDK5 | |
| SCHEMBL14408388 | 0.76 | SLC5A1 (0.36) | CCNT1CCNA2CDK2CDK9CDK5 | |
| SCHEMBL5396378 | 0.76 | NR1H4 (0.41) | NR1H4PTGS2CA1CA2CA9 | |
| SCHEMBL5388561 | 0.75 | SLC16A3 (0.35) | PTGS2CCNT1CCNA2CDK2CDK9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7271191-B2 | Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease | MERCK SHARP & DOHME LTD. (GB) | 2007-09-18 | — | — | US | disclosed |
| US-7271191-B2 | Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease | MERCK SHARP & DOHME LTD. (GB) | 2007-09-18 | — | — | US | disclosed |
| WO-2004089911-A1 | PYRAZOLE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS USEFUL IN THE TREATMENT OF ALZHEIMER’S DISEASE | MERCK SHARP & DOHME LIMITED (GB) | 2004-10-21 | — | — | WO | disclosed |