Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL1610330 | 0.87 | CYP3A4 (0.33) | CYP3A4TSHRMAPK1 | |
| SCHEMBL1610039 | 0.81 | CYP3A4 (0.30) | CYP3A4TSHRMAPK1 | |
| SCHEMBL28612614 | 0.80 | CYP3A4 (0.33) | CYP3A4TSHRMAPK1 | |
| SCHEMBL19972015 | 0.75 | CYP3A4 (0.38) | CYP3A4TSHRMAPK1 | |
| SCHEMBL18473240 | 0.75 | CA1 (0.43) | CYP3A4TSHR | |
| SCHEMBL24521974 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL19972039 | 0.75 | CYP3A4 (0.43) | CYP3A4TSHRMAPK1 | |
| SCHEMBL5355969 | 0.71 | POLB (0.30) | — | |
| SCHEMBL22132566 | 0.71 | PGK1 (0.34) | — | |
| SCHEMBL5357171 | 0.71 | POLB (0.30) | — |
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-4015511-A1 | OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | CARNEGIE MELLON UNIVERSITY (US) | 2022-06-22 | — | — | EP | disclosed |