Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL25447145 | 0.92 | — | — | |
| SCHEMBL18611336 | 0.92 | — | — | |
| SCHEMBL19453282 | 0.92 | — | — | |
| SCHEMBL22617781 | 0.92 | — | — | |
| SCHEMBL18611298 | 0.92 | — | — | |
| SCHEMBL21022114 | 0.88 | — | — | |
| SCHEMBL22856572 | 0.88 | CA1 (0.41) | CA1CA2CA4EPHX1 | |
| SCHEMBL8051293 | 0.88 | — | — | |
| SCHEMBL17233750 | 0.88 | CA1 (0.41) | CA1CA2CA4EPHX1 | |
| SCHEMBL20886815 | 0.85 | — | — |
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-3162798-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-05-03 | — | — | EP | disclosed |