Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL11961978 | 0.83 | ESR1 (0.32) | — | |
| SCHEMBL97582 | 0.83 | CA1 (0.52) | CA1CA2 | |
| SCHEMBL12028140 | 0.75 | — | — | |
| SCHEMBL12451910 | 0.75 | — | — | |
| SCHEMBL187751 | 0.73 | HRH3 (0.47) | CA1CA2 | |
| SCHEMBL5885169 | 0.73 | CYP3A4 (0.47) | CA1CA2 | |
| SCHEMBL9456876 | 0.73 | HRH3 (0.47) | CA1CA2 | |
| SCHEMBL13658160 | 0.73 | GFER (0.47) | CA1CA2 | |
| SCHEMBL11323181 | 0.73 | CYP3A4 (0.47) | CA1CA2 | |
| Water SCHEMBL27740233 | 0.73 | CA1 (0.41) | CA1CA2 |
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-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |