Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31692104 | 0.82 | CYP1A1 (0.39) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL19683432 | 0.79 | CYP26B1 (0.41) | RXRARXRBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL19683564 | 0.78 | CYP1A1 (0.37) | RXRARXRBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL31692090 | 0.78 | ALDH1A1 (0.41) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL19668432 | 0.78 | ALDH1A1 (0.41) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL22741972 | 0.77 | CYP26A1 (0.30) | — | |
| SCHEMBL19683342 | 0.77 | CYP26B1 (0.39) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL2928411 | 0.76 | RXRA (0.46) | RXRARXRBCYP1A2KIF11 | |
| SCHEMBL19683341 | 0.76 | CYP1A1 (0.38) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL31672329 | 0.76 | CYP1A1 (0.38) | CYP1A1CYP1A2CYP1B1 |
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-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |