Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12467972 | 0.75 | HTR1A (0.37) | HTR1ASLC6A2SLC6A4SLC6A3PARP1 | |
| SCHEMBL526964 | 0.68 | PARP1 (0.38) | HTR6PARP1OPRD1 | |
| SCHEMBL528021 | 0.67 | HTR1A (0.42) | HTR1ASLC6A2SLC6A4SLC6A3IRAK4 | |
| SCHEMBL3971163 | 0.65 | ADORA2A (0.41) | CHEK2NPC1RAB9A | |
| SCHEMBL528018 | 0.65 | SLC6A2 (0.48) | HTR6HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28132011 | 0.64 | IRAK4 (0.44) | CHEK2IRAK4ALDH1A1PARP1 | |
| SCHEMBL15533082 | 0.64 | PARP1 (0.44) | PARP1OPRD1 | |
| SCHEMBL29959318 | 0.63 | ADORA2A (0.39) | CHEK2ALDH1A1 | |
| SCHEMBL16741044 | 0.62 | OPRM1 (0.34) | OPRM1 | |
| SCHEMBL3462384 | 0.62 | PARP1 (0.41) | PARP1 |
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 |