Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL7730202 | 0.89 | DAO (0.36) | TAAR1MAOBDAOSLC6A4GPR84 | |
| SCHEMBL7730393 | 0.89 | MAOB (0.34) | TAAR1MAOBDAOPPARDPPARA | |
| SCHEMBL13808351 | 0.88 | MAPT (0.42) | BCHEACHEMAPTTAAR1CYP1A2 | |
| SCHEMBL7722674 | 0.86 | S1PR1 (0.36) | MAOBDAOPPARAPPARGHTR2A | |
| SCHEMBL7735397 | 0.85 | HTR2A (0.39) | ACHEPPARAPPARGHTR2ASLC6A4 | |
| SCHEMBL7731648 | 0.84 | HTR2A (0.41) | ACHEPPARAPPARGHTR2ASLC6A4 | |
| SCHEMBL7729717 | 0.84 | HTR2A (0.41) | ACHEPPARAPPARGHTR2ASLC6A4 | |
| SCHEMBL7735265 | 0.84 | HTR2A (0.41) | ACHEPPARAPPARGHTR2ASLC6A4 | |
| SCHEMBL7735205 | 0.84 | HTR2A (0.41) | ACHEPPARAPPARGHTR2ASLC6A4 | |
| SCHEMBL7722873 | 0.84 | HTR2A (0.41) | ACHEPPARAPPARGHTR2ASLC6A4 |
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 |