Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 12/20 | 0.36 |
| ▸ | THRA | P10827 | 10/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23388729 | 0.84 | CYP3A4 (0.37) | CYP3A4TSHRNR4A1ALDH1A1MAPK1 | |
| SCHEMBL23391539 | 0.81 | CYP3A4 (0.41) | CYP3A4TSHRNR4A1ALDH1A1MAPK1 | |
| SCHEMBL273483 | 0.76 | NR4A1 (0.61) | CYP3A4TSHRNR4A1ALDH1A1MAPK1 | |
| SCHEMBL23407747 | 0.75 | THRB (0.37) | CYP3A4TSHRNR4A1ALDH1A1MAPK1 | |
| SCHEMBL23422712 | 0.75 | MEN1 (0.33) | CYP3A4TSHRNR4A1ALDH1A1MAPK1 | |
| SCHEMBL27932764 | 0.72 | CA12 (0.47) | CYP3A4TSHRNR4A1ALDH1A1THRB | |
| SCHEMBL31505704 | 0.72 | CA12 (0.47) | CYP3A4TSHRNR4A1ALDH1A1THRB | |
| SCHEMBL6912094 | 0.71 | THRA (0.45) | TSHRTHRBTHRA | |
| SCHEMBL5385598 | 0.70 | THRB (0.49) | ALDH1A1THRBTHRA | |
| SCHEMBL7192417 | 0.70 | MAOA (0.59) | CYP3A4TSHRNR4A1ALDH1A1MAPK1 |
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-113195505-B | Inhibitors of metallo-beta-lactamase produced by multi-drug resistant bacteria and methods of making the same | 明知大学校产学协力团 | 2024-04-05 | — | — | CN | disclosed |