Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNE1 | P15382 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5201911 | 0.84 | KCNE1 (0.47) | KCNE1CCR1KCNQ1THRBADORA2A | |
| SCHEMBL21045731 | 0.80 | KCNE1 (0.59) | KCNE1CCR1KCNQ1THRBADORA2A | |
| SCHEMBL6645450 | 0.72 | SMN1; SMN2 (0.42) | ERCC1FEN1ERCC4ALDH1A1HTT | |
| SCHEMBL5645281 | 0.71 | ERCC1 (0.42) | ADORA2AADORA1ERCC1FEN1ERCC4 | |
| SCHEMBL6884591 | 0.70 | ERCC1 (0.50) | ADORA2AERCC1FEN1ERCC4ALDH1A1 | |
| SCHEMBL15085016 | 0.70 | KCNE1 (0.69) | KCNE1CCR1KCNQ1THRBADORA2A | |
| SCHEMBL6649910 | 0.70 | ERCC1 (0.41) | ADORA2AADORA1ERCC1FEN1ERCC4 | |
| SCHEMBL6651068 | 0.69 | ERCC1 (0.52) | ERCC1FEN1ERCC4SMN1; SMN2 | |
| SCHEMBL16974320 | 0.68 | KCNE1 (0.66) | KCNE1CCR1KCNQ1THRBERCC1 | |
| SCHEMBL6647968 | 0.68 | SMN1; SMN2 (0.46) | ALDH1A1GAAHTTSMN1; SMN2KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2934482-A1 | GASTRO-RETENTIVE FORMULATIONS | Merck Sharp & Dohme Corp. (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014100077-A1 | GASTRO-RETENTIVE FORMULATIONS | MERCK SHARP & DOHME CORP. (US) | 2014-06-26 | — | — | WO | disclosed |
| EP-2575465-A1 | SALTS OF RALTEGRAVIR | Hetero Research Foundation (IN) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011148381-A1 | SALTS OF RALTEGRAVIR | HETERO RESEARCH FOUNDATION (IN) | 2011-12-01 | — | — | WO | disclosed |