Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1833233 | 0.86 | ESR1 (0.36) | ESR1KCNH2CYP3A4TSHRPIK3CA | |
| SCHEMBL1829077 | 0.79 | JAK2 (0.35) | ESR1KCNH2CYP3A4 | |
| SCHEMBL1836900 | 0.75 | SKP2 (0.35) | KLKB1MEN1ALDH1A1KMT2A | |
| SCHEMBL1832743 | 0.73 | LMNA (0.37) | KLKB1ALDH1A1KMT2A | |
| SCHEMBL1831398 | 0.70 | ESR1 (0.35) | ESR1KCNH2CYP3A4TSHRPIK3CA | |
| SCHEMBL1833832 | 0.68 | KLKB1 (0.35) | KLKB1 | |
| SCHEMBL2161460 | 0.67 | TDP1 (0.40) | TSHRALDH1A1KMT2A | |
| SCHEMBL1832926 | 0.66 | NR1H3 (0.40) | ESR1KCNH2MEN1ALDH1A1KMT2A | |
| SCHEMBL1833879 | 0.66 | SIGMAR1 (0.36) | ESR1KCNH2ALDH1A1 | |
| SCHEMBL2161475 | 0.66 | KLKB1 (0.39) | KLKB1 |
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-2318374-A2 | INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE | Bayer CropScience AG (DE) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010012442-A2 | INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE | BAYER CROPSCIENCE AG (DE) | 2010-02-04 | — | — | WO | disclosed |