Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 11/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | NPY2R | P49146 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 10/20 | 0.46 |
| ▸ | PDE4A | P27815 | 5/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21241242 | 0.86 | KCNH2 (0.52) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL21241239 | 0.86 | KCNH2 (0.52) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL21241022 | 0.86 | KCNH2 (0.52) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL21241240 | 0.84 | MAPT (0.51) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL21241241 | 0.83 | KCNH2 (0.58) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL21241021 | 0.83 | KCNH2 (0.52) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL21241015 | 0.83 | PDE3B (0.53) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL6559298 | 0.82 | KCNH2 (0.59) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL22910067 | 0.81 | KCNH2 (0.66) | KCNH2SMN1; SMN2PDE3BLMNAMAPT | |
| SCHEMBL10474308 | 0.80 | KCNH2 (0.54) | KCNH2SMN1; SMN2PDE3BLMNAMAPT |
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-3766872-A1 | P2Y12 RECEPTOR ANTAGONIST CONTAINING GUANIDYL, AND PREPARATION METHOD AND USE THEREOF | Anhui New Star Pharmaceutical Development Co., Ltd (CN) | 2021-01-20 | — | — | EP | disclosed |
| WO-2019149259-A1 | P2Y12 RECEPTOR ANTAGONIST CONTAINING GUANIDYL, AND PREPARATION METHOD AND USE THEREOF | 安徽省新星药物开发有限责任公司 | 2019-08-08 | — | — | WO | disclosed |