Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL418435 | 0.86 | ERCC1 (0.40) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL418436 | 0.81 | ERCC1 (0.40) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL418434 | 0.81 | ERCC1 (0.40) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL419314 | 0.80 | ERCC1 (0.42) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL416353 | 0.75 | ERCC1 (0.42) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL10144372 | 0.71 | ERCC1 (0.44) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL10143619 | 0.70 | ERCC1 (0.41) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL419656 | 0.70 | ERCC1 (0.44) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL416352 | 0.69 | ERCC1 (0.42) | ERCC1FEN1ERCC4KCNE1CCR1 | |
| SCHEMBL416354 | 0.69 | ERCC1 (0.42) | ERCC1FEN1ERCC4KCNE1CCR1 |
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-2391212-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088167-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |