Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14749515 | 1.00 | TSHR (0.44) | TSHREPHX2NR1H4ALDH1A1SLC6A4 | |
| SCHEMBL7730268 | 0.96 | TSHR (0.49) | TSHREPHX2NR1H4ALDH1A1SLC6A4 | |
| SCHEMBL7731681 | 0.96 | TSHR (0.49) | TSHREPHX2NR1H4ALDH1A1SLC6A4 | |
| SCHEMBL7729573 | 0.94 | MAOB (0.44) | TSHREPHX2NR1H4MAOBPPARA | |
| SCHEMBL7729862 | 0.94 | MAOB (0.44) | TSHREPHX2NR1H4MAOBPPARA | |
| SCHEMBL7733360 | 0.93 | BCHE (0.44) | TSHREPHX2NR1H4ALDH1A1SLC6A4 | |
| SCHEMBL7735178 | 0.91 | TSHR (0.39) | TSHREPHX2NR1H4ALDH1A1SLC6A4 | |
| SCHEMBL7729682 | 0.91 | TSHR (0.45) | TSHREPHX2NR1H4ALDH1A1SLC6A4 | |
| SCHEMBL7733503 | 0.90 | TAAR1 (0.44) | TSHRMAOBPPARGPPARA | |
| SCHEMBL7729811 | 0.88 | FAAH (0.41) | TSHRALDH1A1SLC6A4SMN1; SMN2MAPT |
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 |