Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL15077614 | 1.00 | TSHR (0.31) | TSHRCA1CA2CA4 | |
| SCHEMBL13820565 | 1.00 | TSHR (0.31) | TSHRCA1CA2CA4 | |
| SCHEMBL27386480 | 1.00 | TSHR (0.31) | TSHRCA1CA2CA4 | |
| SCHEMBL17803280 | 1.00 | TSHR (0.31) | TSHRCA1CA2CA4 | |
| SCHEMBL11217184 | 0.84 | TSHR (0.44) | TSHRCA1CA2CA4 | |
| SCHEMBL561318 | 0.84 | TSHR (0.44) | TSHRCA1CA2CA4 | |
| SCHEMBL22451052 | 0.81 | — | — | |
| SCHEMBL14923183 | 0.80 | CA1 (0.39) | CA1CA2CA4 | |
| Nitric Acid SCHEMBL10744127 | 0.78 | CA5A (0.44) | CA2 | |
| SCHEMBL239138 | 0.75 | CA1 (0.40) | TSHRCA1CA2CA4 |
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-3226690-B1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME (US) | 2020-05-20 | — | — | EP | disclosed |