Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 5/20 | 0.44 |
| ▸ | HTR2A | P28223 | 6/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | 0.91 | CYP2C19 (0.40) | HRH1HTR2ACYP2C19KDM1A | |
| SCHEMBL6223421 | 0.89 | HRH1 (0.43) | HRH1HTR2ANPSR1 | |
| SCHEMBL6228575 | 0.89 | CYP2C19 (0.43) | HRH1HTR2ACYP2C19KDM1A | |
| SCHEMBL6227638 | 0.86 | PIK3CD (0.47) | HRH1HTR2ACYP2C19 | |
| SCHEMBL3714798 | 0.85 | HSD17B10 (0.48) | HRH1 | |
| SCHEMBL5325486 | 0.84 | CYP2C19 (0.48) | HRH1HTR2ACYP2C19KDM1A | |
| SCHEMBL6224153 | 0.83 | HRH1 (0.36) | HRH1HTR2ACYP2C19KDM1A | |
| SCHEMBL1970445 | 0.79 | PLG (0.40) | HRH1HTR2AKDM1A | |
| SCHEMBL5327653 | 0.76 | CYP2C19 (0.35) | HRH1CYP2C19 | |
| SCHEMBL22629578 | 0.75 | HTR7 (0.40) | CYP2C19KDM1A |
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 |