Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 17/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20945461 | 0.78 | NR1H2 (0.58) | NR1H2NR1I2 | |
| SCHEMBL17974909 | 0.72 | NR1H2 (0.44) | NR1H2NR1I2ALDH1A1TSHR | |
| SCHEMBL28596648 | 0.71 | NR1H2 (0.38) | NR1H2NR1I2ALDH1A1 | |
| SCHEMBL8126449 | 0.68 | NR1H2 (0.42) | NR1H2NR1I2ALDH1A1TSHR | |
| SCHEMBL611603 | 0.67 | TSHR (0.42) | NR1H2NR1I2ALDH1A1TSHR | |
| SCHEMBL997714 | 0.67 | ALDH1A1 (0.42) | NR1H2ALDH1A1TSHR | |
| SCHEMBL27845577 | 0.67 | AR (0.46) | NR1H2NR1I2ALDH1A1TSHR | |
| SCHEMBL27845575 | 0.67 | AR (0.46) | NR1H2NR1I2ALDH1A1TSHR | |
| Trifluoromethylbenzene SCHEMBL29001496 | 0.66 | TSHR (0.52) | ALDH1A1TSHR | |
| SCHEMBL2464999 | 0.65 | CACNA2D1 (0.40) | NR1H2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017223406-A1 | COMPLEXES FOR NUCLEOPHILIC, RADICAL, AND ELECTROPHILIC POLYFLUOROALKYLATION | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-12-28 | — | — | WO | disclosed |