Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25344083 | 0.87 | BLM (0.35) | BLMCYP2D6SMN1; SMN2APPTBXA2R | |
| SCHEMBL25345205 | 0.79 | L3MBTL1 (0.38) | BLMCYP2D6SMN1; SMN2APPALDH1A1 | |
| SCHEMBL4861916 | 0.70 | BLM (0.46) | BLMCYP2D6SMN1; SMN2ALDH1A1TBXA2R | |
| SCHEMBL6532232 | 0.65 | SMN1; SMN2 (0.42) | BLMCYP2D6SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL1697473 | 0.64 | BLM (0.48) | BLMCYP2D6SMN1; SMN2ALDH1A1TBXA2R | |
| SCHEMBL28186562 | 0.64 | SMN1; SMN2 (0.41) | BLMCYP2D6SMN1; SMN2ALDH1A1HTT | |
| Ligustrazine SCHEMBL28678860 | 0.63 | LMNA (0.58) | APPALDH1A1LMNAPMP22PDE3A | |
| SCHEMBL7315392 | 0.62 | BLM (0.41) | BLMCYP2D6SMN1; SMN2ALDH1A1TBXA2R | |
| SCHEMBL505194 | 0.61 | L3MBTL1 (0.52) | BLMCYP2D6SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL5074249 | 0.61 | L3MBTL1 (0.52) | BLMCYP2D6SMN1; SMN2ALDH1A1LMNA |
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-2023134682-A1 | OPTICALLY ACTIVE 2-HYDROXYTETRAHYDROTHIENOPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 天地恒一制药股份有限公司 | 2023-07-20 | — | — | WO | disclosed |