Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL8355811 | 0.86 | TSHR (0.37) | TSHRMAOAMAOB | |
| Benzonitrile SCHEMBL8353139 | 0.79 | TSHR (0.41) | TSHRMAOAMAOB | |
| Hydrochloric Acid SCHEMBL5659847 | 0.79 | CYP3A4 (0.40) | — | |
| Benzonitrile SCHEMBL8355836 | 0.76 | TSHR (0.56) | TSHRMAOAMAOB | |
| Benzonitrile SCHEMBL28450139 | 0.73 | TSHR (0.78) | TSHRMAOAMAOB | |
| Benzonitrile SCHEMBL2677758 | 0.73 | TSHR (0.78) | TSHRMAOAMAOB | |
| Benzonitrile SCHEMBL14761846 | 0.73 | TSHR (0.78) | TSHRMAOAMAOB | |
| Benzonitrile SCHEMBL28179939 | 0.73 | TSHR (0.78) | TSHRMAOAMAOB | |
| Benzonitrile SCHEMBL30317661 | 0.71 | TSHR (0.74) | TSHRMAOAMAOB | |
| Benzonitrile SCHEMBL16950016 | 0.71 | TSHR (0.74) | TSHRMAOAMAOB |
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-5998635-A | CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1999-12-07 | — | — | US | disclosed |