Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | CLPP | Q16740 | 3/20 | 0.50 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL17147698 | 0.88 | CYP3A4 (0.66) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL22065223 | 0.80 | CYP3A4 (0.79) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL22476641 | 0.73 | CLPP (0.79) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL22064552 | 0.70 | CYP3A4 (0.43) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL18254991 | 0.69 | CLPP (0.89) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL13559495 | 0.69 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL30085760 | 0.69 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL26265231 | 0.68 | CLPP (0.70) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL22064624 | 0.68 | CLPP (0.57) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 | |
| SCHEMBL26265229 | 0.68 | CLPP (0.73) | CYP3A4SMN1; SMN2HIF1ACLPPGPR132 |
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-3662910-A1 | PHARMACOPHORE FOR TRAIL INDUCTION | The Scripps Research Institute (US) | 2020-06-10 | — | — | EP | disclosed |