Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 SCHEMBL29115799 | 0.93 | TSHR (0.61) | TSHRMAOBMAOACYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL28306408 | 0.85 | TSHR (0.70) | TSHRMAOBMAOACYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL11563021 | 0.85 | TSHR (0.70) | TSHRMAOBMAOACYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL27895262 | 0.84 | TSHR (0.88) | TSHRMAOBMAOACYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL2154015 | 0.84 | TSHR (0.88) | TSHRMAOBMAOACYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL6640 | 0.84 | — | — | |
| Benzonitrile SCHEMBL11044747 | 0.84 | — | — | |
| Benzonitrile SCHEMBL9464940 | 0.84 | TSHR (1.00) | TSHRMAOBMAOACYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL30929383 | 0.84 | TSHR (1.00) | TSHRMAOBMAOACYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL21752925 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108047369-A | A kind of holography optical storage polymer and its manufacturing method | 电子科技大学 | 2018-05-18 | — | — | CN | claimed |
| CN-110054732-A | Surface coating polymerization object, preparation method and application | 中山大学 | 2019-07-26 | — | — | CN | disclosed |
| US-5163992-A | OXALIC ACID DERIVATIVES AND PLANT GROWTH REGULATORS CONTAINING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-17 | — | — | US | disclosed |