Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 18/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.77 |
| ▸ | MME | P08473 | 2/20 | 0.77 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.44 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.44 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.44 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15636338 | 0.96 | CTSA (0.80) | CTSACYP3A4MMEGUCY1B2GUCY1A2 | |
| SCHEMBL15636400 | 0.93 | CTSA (0.79) | CTSACYP3A4MMECNR2 | |
| SCHEMBL15636609 | 0.92 | CTSA (0.72) | CTSACYP3A4MMECNR2 | |
| SCHEMBL15636440 | 0.90 | CTSA (0.87) | CTSACYP3A4MME | |
| SCHEMBL15636526 | 0.89 | CTSA (0.75) | CTSACYP3A4MME | |
| SCHEMBL14696493 | 0.89 | CTSA (0.77) | CTSACYP3A4MMEGUCY1B2GUCY1A2 | |
| SCHEMBL14696492 | 0.89 | CTSA (0.77) | CTSACYP3A4MMEGUCY1B2GUCY1A2 | |
| SCHEMBL15636936 | 0.88 | CTSA (0.87) | CTSACYP3A4MME | |
| SCHEMBL15636818 | 0.88 | CTSA (0.77) | CTSACYP3A4MME | |
| SCHEMBL15637016 | 0.88 | CTSA (0.84) | CTSACYP3A4MME |
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 |