Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 5/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8681291 | 0.90 | IDO1 (0.52) | TSHRMAOBIDO1AGXT | |
| SCHEMBL2657770 | 0.87 | TSHR (0.71) | TSHRMAOBIDO1AGXTAR | |
| SCHEMBL4343354 | 0.87 | TSHR (0.71) | TSHRGRM5IDO1AGXTDHODH | |
| Bromobenzene SCHEMBL17868575 | 0.85 | TSHR (0.75) | TSHRMAOBIDO1AGXTALDH1A1 | |
| Fluorobenzene SCHEMBL28333284 | 0.85 | TSHR (0.75) | TSHRGRM5IDO1AGXTDHODH | |
| SCHEMBL8486861 | 0.82 | TSHR (0.62) | TSHRMAOBIDO1AR | |
| SCHEMBL4768252 | 0.81 | TSHR (0.61) | TSHRMAOBIDO1AGXTALDH1A1 | |
| SCHEMBL24215162 | 0.79 | MAOB (0.57) | TSHRMAOBIDO1AGXT | |
| SCHEMBL7888039 | 0.78 | IDO1 (0.64) | TSHRMAOBIDO1AGXT | |
| SCHEMBL649020 | 0.78 | IDO1 (0.64) | TSHRMAOBIDO1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104817438-B | A kind of alkylation of fluorine-containing aryl halide | 上海万溯化学有限公司 | 2018-01-16 | — | — | CN | disclosed |