Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3825105 | 1.00 | APLNR (0.38) | APLNRALDH1A1LMNANR1I2ABCB11 | |
| SCHEMBL3823125 | 0.82 | NR1I2 (0.30) | LMNANR1I2ABCB11 | |
| SCHEMBL3823129 | 0.82 | NR1I2 (0.30) | LMNANR1I2ABCB11 | |
| SCHEMBL8649769 | 0.76 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL28294318 | 0.73 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL22791339 | 0.72 | EPHX1 (0.32) | ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7853210 | 0.72 | NR1I2 (0.33) | ALDH1A1LMNANR1I2ABCB11 | |
| SCHEMBL8060816 | 0.72 | KEAP1 (0.53) | ALDH1A1LMNANR1I2ABCB11CYP3A4 | |
| SCHEMBL5883941 | 0.68 | APLNR (0.67) | APLNRALDH1A1LMNANR1I2ABCB11 | |
| SCHEMBL16922837 | 0.67 | CYP2C9 (0.36) | ALDH1A1CYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1648526-B1 | CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS | SYMRISE GMBH & CO KG (DE) | 2009-09-09 | — | — | EP | claimed |
| EP-1648526-B1 | CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS | SYMRISE GMBH & CO KG (DE) | 2009-09-09 | — | — | EP | disclosed |
| EP-1648526-A1 | CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS | Symrise GmbH & Co. KG (DE) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005009492-A1 | CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS | SYMRISE GMBH & CO. KG (DE) | 2005-02-03 | — | — | WO | disclosed |