Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 2/20 | 0.41 |
| ▸ | IKBKB | O14920 | 3/20 | 0.39 |
| ▸ | CHUK | O15111 | 2/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16836547 | 0.79 | BTK (0.41) | BTKPARP1CHEK1CCNA2CDK2 | |
| SCHEMBL29748769 | 0.75 | IKBKB (0.46) | BTKIKBKBCHUKCHEK1CCNA2 | |
| SCHEMBL31227514 | 0.74 | PARP1 (0.45) | BTKIKBKBCHUKCSF1RPARP1 | |
| SCHEMBL4684819 | 0.74 | PARP1 (0.45) | BTKIKBKBCHUKCSF1RPARP1 | |
| SCHEMBL14028496 | 0.73 | IKBKB (0.68) | IKBKBCHUKCDK2 | |
| SCHEMBL27965089 | 0.72 | PARP1 (0.42) | IKBKBCHUKPARP1ROCK1HTR6 | |
| Hydrochloric Acid SCHEMBL4946039 | 0.72 | IKBKB (0.67) | IKBKBCHUKCDK2 | |
| SCHEMBL31197270 | 0.72 | IKBKB (0.43) | IKBKBCHUKCHEK1CCNA2CDK2 | |
| SCHEMBL23270397 | 0.69 | PARP1 (0.46) | BTKIKBKBCHUKCSF1RPARP1 | |
| SCHEMBL9900029 | 0.69 | BTK (0.46) | BTKIKBKBROCK1ROCK2KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015095441-A1 | 2-AMINO-3-ESTER-PYRIDYL OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | claimed |