Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | CHUK | O15111 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 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 | |
|---|---|---|---|---|
| SCHEMBL28325510 | 0.83 | PARP1 (0.57) | PARP1IKBKBCHUKPARP2SIRT2 | |
| SCHEMBL1006493 | 0.78 | IKBKB (0.53) | PARP1IKBKBCHUKPARP2SIRT2 | |
| SCHEMBL364173 | 0.78 | ADRA1A (0.46) | PARP1SIRT2CYP11B1CYP11B2 | |
| SCHEMBL31748898 | 0.77 | CYP11B1 (0.43) | PARP1PARP2CYP11B1CYP11B2AURKA | |
| SCHEMBL28853765 | 0.77 | PARP1 (0.52) | PARP1IKBKBCHUKPARP2HTR2C | |
| SCHEMBL1004217 | 0.77 | MEN1 (0.49) | PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL28243995 | 0.77 | HTR2C (0.53) | PARP1IKBKBCHUKPARP2SIRT2 | |
| SCHEMBL3809365 | 0.76 | PARP1 (0.51) | PARP1IKBKBCHUKPARP2HTR2C | |
| SCHEMBL3809376 | 0.76 | HTR2C (0.59) | PARP1IKBKBCHUKPARP2HTR2C | |
| SCHEMBL20822489 | 0.76 | CYP11B1 (0.42) | PARP1CYP11B1CYP11B2 |
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-2015161011-A1 | BENZAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |