Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL272722 | 1.00 | ALDH1A1 (0.49) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL272721 | 1.00 | ALDH1A1 (0.49) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL25394769 | 0.92 | ALDH1A1 (0.52) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL272451 | 0.87 | ALDH1A1 (0.51) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL28631478 | 0.87 | ALDH1A1 (0.51) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL272452 | 0.87 | ALDH1A1 (0.51) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL272450 | 0.87 | ALDH1A1 (0.51) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL25394771 | 0.86 | LMNA (0.49) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL16281704 | 0.83 | ALDH1A1 (0.43) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL16281721 | 0.83 | LMNA (0.43) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133856-B2 | Cis-3,3,5-trimethylcyclohexyl esters | SYMRISE AG (DE) | 2012-03-13 | — | — | US | claimed |
| EP-1648526-B1 | CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS | SYMRISE GMBH & CO KG (DE) | 2009-09-09 | — | — | EP | claimed |
| US-20060211597-A1 | Cis-3,3,5-trimethylcyclohexyl esters | SYMRISE AG (DE) | 2006-09-21 | — | — | US | claimed |
| US-8133856-B2 | Cis-3,3,5-trimethylcyclohexyl esters | SYMRISE AG (DE) | 2012-03-13 | — | — | US | disclosed |
| US-20060211597-A1 | Cis-3,3,5-trimethylcyclohexyl esters | SYMRISE AG (DE) | 2006-09-21 | — | — | US | disclosed |