Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL115791 | 0.79 | ESR1 (0.71) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL9333151 | 0.77 | CA2 (0.52) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL7463486 | 0.77 | CA2 (0.52) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL31247 | 0.77 | ESR1 (0.54) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL25435946 | 0.77 | ESR1 (0.68) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL10309470 | 0.76 | CA2 (0.58) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL28448983 | 0.74 | ESR1 (0.52) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL19732114 | 0.72 | ESR1 (0.50) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL482384 | 0.72 | ESR1 (0.50) | ESR1CA2CA4CA5AALDH1A1 | |
| SCHEMBL19353458 | 0.72 | CA2 (0.62) | ESR1CA2CA4CA5AALDH1A1 |
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-4242479-A | CATALYST OF ALUMINUM TRIHALIDE, ORGANOSILOXANE COMPOUND OR ETHER, MAGNESIUM ALCOHOLATE, TITANIUM-HALOGEN AND ORGANOALUMINUM COMPOUNDS | SHOWA YUKA KABUSHIKI KAISHA (JP) | 1980-12-30 | — | — | US | disclosed |