Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.93 |
| ▸ | MAOB | P27338 | 4/20 | 0.56 |
| ▸ | MAOA | P21397 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 SCHEMBL11740588 | 1.00 | TSHR (0.93) | TSHRMAOBMAOACA2CA12 | |
| Benzonitrile SCHEMBL27363057 | 0.97 | TSHR (1.00) | TSHRMAOBMAOACA2CA12 | |
| Benzonitrile SCHEMBL30929383 | 0.97 | TSHR (1.00) | TSHRMAOBMAOACA2CA12 | |
| Benzonitrile SCHEMBL2153738 | 0.97 | TSHR (1.00) | TSHRMAOBMAOACA2CA12 | |
| Benzonitrile SCHEMBL6640 | 0.97 | — | — | |
| Benzonitrile SCHEMBL27793280 | 0.97 | TSHR (1.00) | TSHRMAOBMAOACA2CA12 | |
| Benzonitrile SCHEMBL11044747 | 0.97 | — | — | |
| Benzonitrile SCHEMBL21752925 | 0.97 | — | — | |
| Benzonitrile SCHEMBL9464940 | 0.97 | TSHR (1.00) | TSHRMAOBMAOACA2CA12 | |
| Benzonitrile SCHEMBL28833409 | 0.94 | TSHR (0.82) | TSHRMAOBMAOACA2CA12 |
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-4059594-A | Stereospecific process for production of c-5-aralkoxy-r-2-substituted-5-alkyl-1,3-dioxanes and intermediates | FMC CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |