Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15759942 | 0.81 | CYP3A4 (0.36) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL7075784 | 0.81 | CYP3A4 (0.36) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL7075788 | 0.81 | CYP3A4 (0.36) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL4972429 | 0.79 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL381091 | 0.75 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL6349486 | 0.75 | TDP1 (0.39) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL8154471 | 0.75 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL25386183 | 0.73 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL10748236 | 0.73 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| Iodide SCHEMBL3348496 | 0.73 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6037474-A | Process for the preparation of cyclic 4-oxoamidines | Degussa-Huuls (DE) | 2000-03-14 | — | — | US | disclosed |