Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL528020 | 0.75 | HTR6 (0.40) | HTR1ASLC6A2SLC6A4SLC6A3PARP1 | |
| SCHEMBL12467886 | 0.65 | HTR1A (0.44) | HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3971163 | 0.63 | ADORA2A (0.41) | — | |
| SCHEMBL526962 | 0.63 | SLC6A2 (0.46) | HTR1ASLC6A2SLC6A4SLC6A3PARP1 | |
| SCHEMBL16741044 | 0.63 | OPRM1 (0.34) | — | |
| SCHEMBL3462384 | 0.63 | PARP1 (0.41) | PARP1JAK3CDC7 | |
| SCHEMBL3459998 | 0.63 | PARP1 (0.41) | PARP1JAK3CDC7 | |
| SCHEMBL12467974 | 0.62 | GABRA1 (0.43) | HTR1ASLC6A2SLC6A4SLC6A3PARP1 | |
| SCHEMBL1765128 | 0.61 | HTR1A (0.67) | HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29959318 | 0.61 | ADORA2A (0.39) | — |
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-2598483-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | Rigel Pharmaceuticals, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016217-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2012-02-02 | — | — | WO | disclosed |