Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11565109 | 0.98 | TAAR1 (0.47) | TAAR1CHRM2GPR84DAOPTGS1 | |
| SCHEMBL2181212 | 0.94 | TAAR1 (0.50) | TAAR1CHRM2GPR84DAOPTGS1 | |
| Methyl Alcohol SCHEMBL27656386 | 0.91 | TAAR1 (0.47) | TAAR1CHRM2GPR84DAOPTGS1 | |
| Formic Acid SCHEMBL27643490 | 0.87 | TAAR1 (0.44) | TAAR1CHRM2GPR84DAOPTGS1 | |
| Pentanal SCHEMBL29110702 | 0.87 | TSHR (0.48) | TAAR1CHRM2GPR84DAOTSHR | |
| SCHEMBL67347 | 0.86 | TAAR1 (0.54) | TAAR1CHRM2GPR84DAOPTGS1 | |
| SCHEMBL6546757 | 0.83 | TAAR1 (0.65) | TAAR1CHRM2GPR84DAOPTGS1 | |
| SCHEMBL7370538 | 0.82 | TAAR1 (0.50) | TAAR1CHRM2GPR84DAOPTGS1 | |
| SCHEMBL8086316 | 0.81 | TAAR1 (0.62) | TAAR1CHRM2GPR84DAOPTGS1 | |
| SCHEMBL8096637 | 0.81 | TAAR1 (0.62) | TAAR1CHRM2GPR84DAOPTGS1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013053102-A1 | IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2013-04-18 | — | — | WO | claimed |
| EP-2072083-B1 | Utilisation of 2.4'-dimethyl-propiophenon as an aroma | SYMRISE AG (DE) | 2012-02-15 | — | — | EP | claimed |
| US-20070072789-A1 | 2-Methyl-5-phenylpentanal used as a rose odoriferous substance | SYMRISE GMBH & CO. KG (DE) | 2007-03-29 | — | — | US | claimed |
| EP-3666766-A1 | PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE | Taisho Pharmaceutical Co., Ltd. (JP) | 2020-06-17 | — | — | EP | disclosed |
| EP-2766333-A1 | PROCESS FOR THE PREPARATION OF METHOXYMELONAL | Givaudan SA (CH) | 2014-08-20 | — | — | EP | disclosed |
| WO-2013053102-A1 | IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2013-04-18 | — | — | WO | disclosed |
| WO-2013053787-A1 | PROCESS FOR THE PREPARATION OF METHOXYMELONAL | GIVAUDAN SA (CH) | 2013-04-18 | — | — | WO | disclosed |
| US-20070072789-A1 | 2-Methyl-5-phenylpentanal used as a rose odoriferous substance | SYMRISE GMBH & CO. KG (DE) | 2007-03-29 | — | — | US | disclosed |
| US-20070072789-A1 | 2-Methyl-5-phenylpentanal used as a rose odoriferous substance | SYMRISE GMBH & CO. KG (DE) | 2007-03-29 | — | — | US | disclosed |
| EP-1631247-A1 | 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE | Symrise GmbH & Co. KG (DE) | 2006-03-08 | — | — | EP | disclosed |
| WO-2004105724-A1 | 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE | SYMRISE GMBH & CO. KG (DE) | 2004-12-09 | — | — | WO | disclosed |