Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2399420 | 0.80 | NPC1 (0.57) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL5257098 | 0.79 | TSHR (0.46) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL23069579 | 0.79 | TSHR (0.48) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL13541632 | 0.79 | TSHR (0.48) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL520337 | 0.79 | TSHR (0.48) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL13539052 | 0.76 | TSHR (0.46) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL30829444 | 0.76 | TSHR (0.46) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL17574712 | 0.76 | TSHR (0.46) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL29225365 | 0.76 | TSHR (0.46) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL27984769 | 0.76 | SMN1; SMN2 (0.48) | TSHRCA12CA1CA2CA7 |
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-4330650-A | HAVING MAGNESIUM COMPONENTS, TITANIUM COMPONENTS, ORGANOALUMINUM COMPONENTS AND HETEROCYCLIC CARBOXYLIC ESTER ELECTRON DONOR COMPONENTS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1982-05-18 | — | — | US | disclosed |
| US-4255280-A | ORGANOMAGNESIUM, CHLOROSILANE, TITANIUM, ORGANOMETALLIC AND HETEROCYCLIC ESTER COMPONENTS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1981-03-10 | — | — | US | disclosed |