Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL20006876 | 0.77 | KCNH2 (0.38) | TYRTRPA1KCNH2ADRB2ADRB1 | |
| SCHEMBL5326448 | 0.76 | TYR (0.37) | TYRKCNH2ADRB2ADRB1LMNA | |
| SCHEMBL5326452 | 0.76 | TYR (0.37) | TYRKCNH2ADRB2ADRB1LMNA | |
| SCHEMBL23940684 | 0.75 | ACLY (0.36) | TYRKCNH2ADRB2ADRB1TMEM97 | |
| SCHEMBL12397446 | 0.75 | ACLY (0.36) | TYRKCNH2ADRB2ADRB1TMEM97 | |
| SCHEMBL18697459 | 0.75 | ACLY (0.36) | TYRKCNH2ADRB2ADRB1TMEM97 | |
| SCHEMBL20958081 | 0.72 | GABRA1 (0.47) | TYRTRPA1ANO1LMNAMAPT | |
| SCHEMBL14681245 | 0.72 | PTGS1 (0.34) | TYRTRPA1KCNH2TMEM97SIGMAR1 | |
| SCHEMBL13625815 | 0.71 | HMGCR (0.55) | TYRLMNAMAPTXBP1HIF1A | |
| SCHEMBL20006762 | 0.71 | LMNA (0.40) | TYRKCNH2ANO1LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3299364-A1 | NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF | Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) | 2018-03-28 | — | — | EP | disclosed |