Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 8/20 | 0.39 |
| ▸ | CA2 | P00918 | 8/20 | 0.39 |
| ▸ | CA9 | Q16790 | 7/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 6/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27283702 | 1.00 | TSHR (0.44) | TSHRTHRBALDH1A1MEN1HTT | |
| SCHEMBL5625359 | 1.00 | TSHR (0.44) | TSHRTHRBALDH1A1MEN1HTT | |
| SCHEMBL11663426 | 1.00 | TSHR (0.44) | TSHRTHRBALDH1A1MEN1HTT | |
| SCHEMBL459859 | 0.97 | — | — | |
| SCHEMBL3899062 | 0.88 | — | — | |
| SCHEMBL11615338 | 0.86 | THRB (0.42) | TSHRTHRBALDH1A1MEN1HTT | |
| SCHEMBL9329861 | 0.86 | THRB (0.42) | TSHRTHRBALDH1A1MEN1HTT | |
| SCHEMBL9329817 | 0.86 | THRB (0.42) | TSHRTHRBALDH1A1MEN1HTT | |
| SCHEMBL11310968 | 0.86 | THRB (0.42) | TSHRTHRBALDH1A1MEN1HTT | |
| 1-Pentanol SCHEMBL29044767 | 0.85 | SMN1; SMN2 (0.55) | TSHRTHRBALDH1A1MEN1HTT |
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 2 patents. 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 |
| US-4180636-A | MAGNESIUM HALIDE, TITANIUM COMPOUND ELECTRON DONOR COMPOUND, TRIALKYL ALUMINUM CATALYST | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1979-12-25 | — | — | US | disclosed |