Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6226343 | 0.93 | CYP2C19 (0.40) | CYP2C19MAPK1KDM1ACYP1A2SMN1; SMN2 | |
| SCHEMBL6228575 | 0.91 | CYP2C19 (0.43) | CYP2C19MAPK1KDM1ACYP1A2SMN1; SMN2 | |
| SCHEMBL5327581 | 0.84 | HRH1 (0.44) | CYP2C19KDM1AHRH1HTR2A | |
| SCHEMBL3296864 | 0.81 | CYP2C19 (0.44) | CYP2C19KDM1AHRH1TBXAS1KMT2A | |
| SCHEMBL16072551 | 0.81 | ALDH1A1 (0.39) | CYP2C19MAPK1CYP1A2SMN1; SMN2GAA | |
| SCHEMBL5325425 | 0.79 | CYP2C19 (0.45) | CYP2C19MAPK1CYP1A2SMN1; SMN2GAA | |
| SCHEMBL22629578 | 0.77 | HTR7 (0.40) | CYP2C19MAPK1KDM1ACYP1A2GAA | |
| SCHEMBL3296699 | 0.77 | CYP2C19 (0.41) | CYP2C19KDM1ACYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL5276929 | 0.76 | CYP2C19 (0.40) | CYP2C19KDM1AHRH1 | |
| SCHEMBL13993938 | 0.76 | ALDH1A1 (0.37) | MAPK1CYP1A2SMN1; SMN2GAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007142804-A2 | PREPARATION OF COMPLEXING AGENTS AND METAL ION COMPLEXES IN AQUEOUS MEDIA | MALLINCKRODT INC. (US) | 2007-12-13 | — | — | WO | claimed |
| WO-2007142804-A2 | PREPARATION OF COMPLEXING AGENTS AND METAL ION COMPLEXES IN AQUEOUS MEDIA | MALLINCKRODT INC. (US) | 2007-12-13 | — | — | WO | disclosed |