Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL615942 | 0.85 | ALDH1A1 (0.38) | CA1CA2 | |
| SCHEMBL10290477 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL614874 | 0.80 | KDM4E (0.37) | — | |
| SCHEMBL2920762 | 0.79 | CYP3A4 (0.32) | CASP1 | |
| SCHEMBL613715 | 0.79 | CYP3A4 (0.47) | CA12CA1CA2CA9 | |
| SCHEMBL28919694 | 0.77 | CASP1 (0.39) | CASP1CA12CA1CA2CA9 | |
| SCHEMBL16974592 | 0.76 | ALDH1A1 (0.39) | CA1CA2 | |
| Hydrochloric Acid SCHEMBL16974558 | 0.75 | ALDH1A1 (0.38) | CA1CA2 | |
| SCHEMBL3186952 | 0.74 | SNCA (0.40) | CA12CA1CA2CA9 | |
| SCHEMBL1712145 | 0.72 | CYP3A4 (0.37) | CASP1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2739628-B1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-07 | — | — | EP | disclosed |