Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY4R | P50391 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 3/20 | 0.34 |
| ▸ | F2 | P00734 | 8/20 | 0.34 |
| ▸ | TMPRSS6 | Q8IU80 | 8/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8528690 | 0.94 | CYP2C9 (0.39) | CYP2C9CYP2C19ITGB1ITGA5HTT | |
| Trifluoroacetic Acid SCHEMBL8526755 | 0.88 | NPY4R (0.35) | NPY4RCYP2C9CYP2C19NPY1RF2 | |
| Trifluoroacetic Acid SCHEMBL8527841 | 0.88 | NPY4R (0.36) | NPY4RCYP2C9CYP2C19NPY1RF2 | |
| Trifluoroacetic Acid SCHEMBL8528536 | 0.85 | NPY4R (0.36) | NPY4RNPY1RF2TMPRSS6 | |
| Trifluoroacetic Acid SCHEMBL8528197 | 0.83 | NPY4R (0.36) | NPY4RNPY1RF2TMPRSS6 | |
| Trifluoroacetic Acid SCHEMBL7040089 | 0.83 | CYP2C9 (0.40) | NPY4RCYP2C9CYP2C19NPY1R | |
| SCHEMBL8526260 | 0.81 | CYP2C9 (0.40) | CYP2C9CYP2C19HTT | |
| Trifluoroacetic Acid SCHEMBL7045238 | 0.81 | NPY1R (0.43) | NPY4RNPY1R | |
| Trifluoroacetic Acid SCHEMBL649619 | 0.81 | NPY1R (0.43) | NPY4RNPY1R | |
| SCHEMBL8525688 | 0.80 | NPY4R (0.38) | NPY4RCYP2C9CYP2C19NPY1R |
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 |
|---|---|---|---|---|---|---|---|
| EP-0885186-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997019911-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |