Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 5/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | PLAT | P00750 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12467974 | 0.83 | GABRA1 (0.43) | GABRA1GABRG2GABRB3CCR2PARP1 | |
| SCHEMBL526965 | 0.78 | GABRA1 (0.44) | GABRA1GABRG2GABRB3PARP1GABRB2 | |
| SCHEMBL8598701 | 0.71 | GABRA1 (0.44) | GABRA1GABRG2GABRB3PARP1GABRB2 | |
| SCHEMBL528021 | 0.70 | HTR1A (0.42) | GABRA1GABRG2GABRB3GABRB2PRMT5 | |
| SCHEMBL15647254 | 0.68 | PARP1 (0.43) | PARP1PRMT5IKBKBCHUKPARP2 | |
| SCHEMBL23111536 | 0.68 | GABRA1 (0.49) | GABRA1GABRG2GABRB3GABRB2HRH1 | |
| SCHEMBL20400460 | 0.66 | IKBKB (0.46) | GABRA1PARP1GABRB2IKBKBCHUK | |
| SCHEMBL15647257 | 0.66 | PRMT5 (0.42) | GABRA1PARP1GABRB2PRMT5IKBKB | |
| SCHEMBL3300081 | 0.66 | GABRA1 (0.42) | GABRA1GABRG2GABRB3PARP1GABRB2 | |
| SCHEMBL28945930 | 0.66 | GABRA1 (0.42) | GABRA1GABRG2GABRB3CCR2GABRB2 |
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 |