Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 3/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.36 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7731160 | 0.97 | HTR2A (0.41) | HTR2AFAAHTHRBRARBRARA | |
| SCHEMBL7723125 | 0.96 | HTR2A (0.44) | HTR2AFAAHRARBRARARARG | |
| SCHEMBL7730773 | 0.96 | HTR2A (0.44) | HTR2AFAAHRARBRARARARG | |
| SCHEMBL7730465 | 0.96 | HTR2A (0.44) | HTR2AFAAHRARBRARARARG | |
| SCHEMBL7731854 | 0.96 | HTR2A (0.44) | HTR2AFAAHRARBRARARARG | |
| SCHEMBL7735476 | 0.96 | HTR2A (0.44) | HTR2AFAAHRARBRARARARG | |
| SCHEMBL7733197 | 0.96 | S1PR1 (0.37) | HTR2AFAAHTHRBRARBRARA | |
| SCHEMBL7735397 | 0.94 | HTR2A (0.39) | HTR2AFAAHTHRBRARBRARA | |
| SCHEMBL16662430 | 0.94 | RARB (0.45) | HTR2AFAAHRARBRARARARG | |
| SCHEMBL7730335 | 0.93 | S1PR1 (0.36) | HTR2AFAAHRARBRARARARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786445-B1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORP (JP) | 2002-07-17 | — | — | EP | disclosed |