Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL680558 | 0.85 | GPBAR1 (0.44) | TACR1CYP3A4DGAT1FFAR4KCNH2 | |
| SCHEMBL680559 | 0.85 | GPBAR1 (0.44) | TACR1CYP3A4DGAT1FFAR4KCNH2 | |
| SCHEMBL680455 | 0.83 | TACR1 (0.39) | TACR1CYP3A4DGAT1KCNH2ADORA2A | |
| SCHEMBL680456 | 0.83 | TACR1 (0.39) | TACR1CYP3A4DGAT1KCNH2ADORA2A | |
| SCHEMBL680976 | 0.83 | TACR1 (0.36) | TACR1CYP3A4DGAT1FFAR4KCNH2 | |
| SCHEMBL679436 | 0.83 | GPBAR1 (0.36) | TACR1CYP3A4DGAT1FFAR4KCNH2 | |
| SCHEMBL679435 | 0.83 | GPBAR1 (0.36) | TACR1CYP3A4DGAT1FFAR4KCNH2 | |
| SCHEMBL680262 | 0.83 | CETP (0.46) | PTGDR2 | |
| SCHEMBL680263 | 0.83 | CETP (0.46) | PTGDR2 | |
| SCHEMBL680975 | 0.81 | TRPM8 (0.34) | TACR1CYP3A4DGAT1FFAR4KCNH2 |
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-2383253-B1 | METHOD FOR MANUFACTURING TRANS-{4-[(ALKYL AMINO) METHYL]CYCLOHEXYL} ACETIC ESTER | KOWA CO (JP) | 2014-03-19 | — | — | EP | disclosed |