Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 18/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | MME | P08473 | 2/20 | 0.61 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15636380 | 0.92 | CTSA (0.66) | CTSACYP3A4MME | |
| SCHEMBL15636588 | 0.92 | CTSA (0.66) | CTSACYP3A4MME | |
| SCHEMBL15636582 | 0.92 | CTSA (0.52) | CTSACYP3A4MMECYP26A1 | |
| SCHEMBL15636629 | 0.88 | CTSA (0.61) | CTSACYP3A4MME | |
| SCHEMBL6845233 | 0.88 | CTSA (0.78) | CTSACYP3A4MME | |
| SCHEMBL2317615 | 0.88 | CTSA (0.78) | CTSACYP3A4MME | |
| SCHEMBL15636379 | 0.88 | CYP26A1 (0.54) | CTSACYP3A4MMECYP26A1 | |
| SCHEMBL15636764 | 0.88 | CYP26A1 (0.62) | CTSACYP3A4MMECYP26A1 | |
| SCHEMBL15637883 | 0.87 | CTSA (0.66) | CTSACYP3A4MME | |
| SCHEMBL15636407 | 0.87 | CYP26A1 (0.55) | CTSACYP3A4MMECYP26A1 |
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-2014053533-A1 | USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION | SANOFI (FR) | 2014-04-10 | — | — | WO | disclosed |