Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4757226 | 1.00 | CYP3A4 (0.35) | CYP3A4TSHRCA2EPHX2 | |
| SCHEMBL2385202 | 0.85 | — | — | |
| SCHEMBL785513 | 0.85 | CA2 (0.38) | CA2 | |
| SCHEMBL7291462 | 0.85 | CA2 (0.38) | CA2 | |
| SCHEMBL1446393 | 0.85 | — | — | |
| SCHEMBL8812303 | 0.83 | ALDH1A1 (0.32) | CA2EPHX2 | |
| SCHEMBL9048723 | 0.83 | ALDH1A1 (0.32) | CA2EPHX2 | |
| SCHEMBL8810614 | 0.83 | ALDH1A1 (0.32) | CA2EPHX2 | |
| SCHEMBL8810576 | 0.83 | ALDH1A1 (0.32) | CA2EPHX2 | |
| SCHEMBL8811510 | 0.83 | ALDH1A1 (0.32) | CA2EPHX2 |
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-0337334-A2 | Renin-inhibiting amino acid derivatives | MERCK PATENT GmbH (DE) | 1989-10-18 | — | — | EP | disclosed |