Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Citronellal. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| (-)-Citronellal SCHEMBL726161 | 0.94 | ALOX15 (0.57) | ALOX15ALDH1A1TSHRUSP2GGPS1 | |
| Citronellal SCHEMBL1864131 | 0.94 | ALOX15 (0.57) | ALOX15ALDH1A1TSHRUSP2GGPS1 | |
| Citronellal SCHEMBL29275 | 0.94 | ALOX15 (0.57) | ALOX15ALDH1A1TSHRUSP2GGPS1 | |
| Citronellal SCHEMBL457495 | 0.94 | ALOX15 (0.57) | ALOX15ALDH1A1TSHRUSP2GGPS1 | |
| Citronellal SCHEMBL27550931 | 0.93 | ALOX15 (0.49) | ALOX15ALDH1A1TSHRUSP2FNTA | |
| Citronellal SCHEMBL25260936 | 0.92 | ALOX15 (0.55) | ALOX15ALDH1A1TSHRUSP2GGPS1 | |
| Citronellal SCHEMBL10553397 | 0.92 | ALOX15 (0.55) | ALOX15ALDH1A1TSHRUSP2GGPS1 | |
| Citronellal SCHEMBL28427452 | 0.92 | ALOX15 (0.55) | ALOX15ALDH1A1TSHRUSP2GGPS1 | |
| Citronellal SCHEMBL3310337 | 0.92 | ALOX15 (0.55) | ALOX15ALDH1A1TSHRUSP2GGPS1 | |
| Citronellal SCHEMBL1179118 | 0.90 | ALOX15 (0.53) | ALOX15ALDH1A1TSHRUSP2GGPS1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106367286-A | Vinegar and preparation method thereof | 全椒先奇医药科技有限公司 | 2017-02-01 | — | — | CN | claimed |
| US-20130209371-A1 | Germ Solve Candle | WILLIS MARK ANTHONY (US) | 2013-08-15 | — | — | US | claimed |
| CN-118995350-A | Soluble nanocellulose sheet | 伯克利医疗资源股份有限公司 | 2024-11-22 | — | — | CN | disclosed |
| US-20240110124-A1 | TERPENE-BASED COMPOSITIONS, METHODOLGIES FOR CREATION AND PRODUCTS THEREBY | SCIENTIFIC HOLDINGS, LLC (US) | 2024-04-04 | — | — | US | disclosed |
| US-20240110125-A1 | TERPENE-BASED COMPOSITIONS, PROCESSES, METHODOLOGIES FOR CREATION AND PRODUCTS THEREBY | SCIENTIFIC HOLDINGS, LLC (US) | 2024-04-04 | — | — | US | disclosed |
| CN-106367286-A | Vinegar and preparation method thereof | 全椒先奇医药科技有限公司 | 2017-02-01 | — | — | CN | disclosed |
| CN-106367286-A | Vinegar and preparation method thereof | 全椒先奇医药科技有限公司 | 2017-02-01 | — | — | CN | disclosed |
| US-20150216164-A1 | SPATIAL INHIBITORS, DETERRENTS AND REPELLENTS FOR MOSQUITOES AND MIDGES | BEDOUKIAN RESEARCH, INC. | 2015-08-06 | — | — | US | disclosed |
| US-20150104348-A1 | Pet Deodorizing Composition | THE IAMS COMPANY (US) | 2015-04-16 | — | — | US | disclosed |
| US-8852224-B2 | Therapeutic delivery system | WINTER BREATH LLC | 2014-10-07 | — | — | US | disclosed |
| US-20140155843-A1 | THERAPEUTIC DELIVERY SYSTEM | WINTER BREATH LLC | 2014-06-05 | — | — | US | disclosed |
| US-20140066976-A1 | THERAPEUTIC DELIVERY SYSTEM | CRONK PETER J (US) | 2014-03-06 | — | — | US | disclosed |
| US-20130309299-A1 | THERAPEUTIC DELIVERY SYSTEM | CRONK PETER J (US) | 2013-11-21 | — | — | US | disclosed |
| US-20130209371-A1 | Germ Solve Candle | WILLIS MARK ANTHONY (US) | 2013-08-15 | — | — | US | disclosed |
| US-8188030-B2 | Fabric softener compositions and methods of manufacture thereof | SEGETIS, INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-20120065113-A1 | FABRIC SOFTENER COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF | SEGETIS, INC. (US) | 2012-03-15 | — | — | US | disclosed |
| US-7655613-B2 | Solubilizing systems for flavors and fragrances | FIRMENICH SA (CH) | 2010-02-02 | — | — | US | disclosed |
| US-20070161526-A1 | SOLUBILIZING SYSTEMS FOR FLAVORS AND FRAGRANCES | FIRMENICH SA (CH) | 2007-07-12 | — | — | US | disclosed |