Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 15/20 | 0.35 |
| ▸ | EBP | Q15125 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL24258172 | 0.88 | KDM1A (0.33) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24258173 | 0.77 | KDM1A (0.35) | SIGMAR1EBPTP53CYP1A2CYP3A4 | |
| SCHEMBL21936942 | 0.77 | PDE7A (0.36) | SIGMAR1EBPTP53CYP1A2CYP3A4 | |
| SCHEMBL21937753 | 0.77 | SIGMAR1 (0.33) | SIGMAR1EBPTP53CYP1A2CYP3A4 | |
| SCHEMBL21936824 | 0.77 | PDK2 (0.36) | SIGMAR1EBPTP53CYP1A2CYP3A4 | |
| SCHEMBL24258225 | 0.73 | KDM1A (0.35) | SIGMAR1EBPTP53CYP1A2CYP3A4 | |
| SCHEMBL17014495 | 0.73 | ALDH1A1 (0.48) | SIGMAR1CYP3A4DRD2 | |
| SCHEMBL21937081 | 0.73 | SIGMAR1 (0.33) | SIGMAR1EBPTP53CYP1A2CYP3A4 | |
| SCHEMBL28795508 | 0.72 | PDE7A (0.41) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21845443 | 0.72 | GFER (0.41) | TSHR |
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-2020072835-A1 | 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS, INC. (US) | 2020-04-09 | — | — | WO | disclosed |