Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Siguazodan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3A known ✓ | Q14432 | 15/20 | 0.50 |
| ▸ | PDE3B | Q13370 | 14/20 | 0.50 |
| ▸ | PDE4A | P27815 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | BLM | P54132 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Siguazodan SCHEMBL12648714 | 0.83 | KDM4E (0.67) | PDE3APDE3BPDE4AKDM4EBLM | |
| Siguazodan SCHEMBL7744697 | 0.83 | KDM4E (0.67) | PDE3APDE3BPDE4AKDM4EBLM | |
| Siguazodan SCHEMBL149133 | 0.83 | KDM4E (0.67) | PDE3APDE3BPDE4AKDM4EBLM | |
| Siguazodan SCHEMBL7744694 | 0.83 | KDM4E (0.67) | PDE3APDE3BPDE4AKDM4EBLM | |
| Siguazodan SCHEMBL1024118 | 0.83 | KDM4E (0.67) | PDE3APDE3BPDE4AKDM4EBLM | |
| Milrinone SCHEMBL9309054 | 0.71 | PDE3A (1.00) | PDE3APDE3BPDE4AKDM4EBLM | |
| Milrinone SCHEMBL9247989 | 0.71 | PDE3A (1.00) | PDE3APDE3BPDE4AKDM4EBLM | |
| Milrinone SCHEMBL36947 | 0.71 | PDE3A (1.00) | PDE3APDE3BPDE4AKDM4EBLM | |
| Milrinone SCHEMBL9301167 | 0.71 | PDE3A (1.00) | PDE3APDE3BPDE4AKDM4EBLM | |
| Milrinone SCHEMBL28184205 | 0.70 | PDE3A (0.97) | PDE3APDE3BPDE4AKDM4EBLM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10398672-B2 | Methods and compositions for targeting cancer stem cells | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2019-09-03 | — | — | US | disclosed |
| US-20170049745-A1 | METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2017-02-23 | — | — | US | disclosed |
| WO-2015168255-A1 | METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-11-05 | — | — | WO | disclosed |