Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7729862 | 1.00 | MAOB (0.44) | MAOBIDO1TSHRTAAR1TRPV1 | |
| SCHEMBL7733503 | 0.95 | TAAR1 (0.44) | MAOBIDO1TSHRTAAR1PPARA | |
| SCHEMBL7735170 | 0.94 | TSHR (0.44) | MAOBTSHRPPARAEPHX2NR1H4 | |
| SCHEMBL14749515 | 0.94 | TSHR (0.44) | MAOBTSHRPPARAEPHX2NR1H4 | |
| SCHEMBL7730268 | 0.91 | TSHR (0.49) | TSHRPPARAEPHX2NR1H4 | |
| SCHEMBL7731681 | 0.91 | TSHR (0.49) | TSHRPPARAEPHX2NR1H4 | |
| SCHEMBL7733360 | 0.88 | BCHE (0.44) | TSHREPHX2NR1H4 | |
| SCHEMBL7729682 | 0.86 | TSHR (0.45) | TSHRTAAR1EPHX2NR1H4 | |
| SCHEMBL7731398 | 0.86 | TAAR1 (0.46) | MAOBIDO1TAAR1PPARAPPARD | |
| SCHEMBL7735178 | 0.86 | TSHR (0.39) | MAOBTSHRTAAR1EPHX2NR1H4 |
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 |