Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | P2RY6 | Q15077 | 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 | |
|---|---|---|---|---|
| SCHEMBL4544188 | 0.79 | CYP3A4 (0.54) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL50333 | 0.79 | CYP3A4 (0.54) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL4551613 | 0.79 | CYP3A4 (0.54) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL15430 | 0.78 | CYP3A4 (0.70) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL14493735 | 0.77 | CYP3A4 (0.47) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL161063 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL27741428 | 0.75 | CYP3A4 (0.67) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| Water SCHEMBL28889229 | 0.75 | CYP3A4 (0.67) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| Ammonia Solution, Strong SCHEMBL28239770 | 0.75 | CYP3A4 (0.67) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL8568163 | 0.74 | CYP3A4 (0.54) | CYP3A4TSHRMAPK1TDP1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114685319-B | Tripodium hexaurea neutral ligand, preparation method and application thereof | 北京理工大学 | 2023-08-11 | — | — | CN | disclosed |