Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butylbenzyl. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.57 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | RARB | P10826 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8583606 | 0.94 | ALDH1A1 (0.63) | ALDH1A1HPGDHSD17B10HDAC3HDAC4 | |
| Butylbenzyl SCHEMBL27660882 | 0.93 | ALDH1A1 (0.64) | ALDH1A1HPGDHSD17B10HDAC3HDAC4 | |
| Butylbenzyl SCHEMBL28003910 | 0.92 | ALDH1A1 (0.55) | ALDH1A1HPGDHSD17B10HDAC3HDAC4 | |
| Acetic Acid SCHEMBL27621705 | 0.92 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10SLC6A3RARB | |
| Acetic Acid SCHEMBL27798118 | 0.92 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10SLC6A3RARB | |
| Butylbenzyl SCHEMBL27813353 | 0.92 | ALDH1A1 (0.58) | ALDH1A1HPGDHSD17B10HDAC3HDAC4 | |
| Butylbenzyl SCHEMBL243911 | 0.91 | ALDH1A1 (0.59) | ALDH1A1HPGDHSD17B10HDAC3HDAC4 | |
| Butylbenzyl SCHEMBL11606144 | 0.91 | ALDH1A1 (0.59) | ALDH1A1HPGDHSD17B10HDAC3HDAC4 | |
| Butylbenzyl SCHEMBL28302597 | 0.89 | ALDH1A1 (0.60) | ALDH1A1HPGDHSD17B10HDAC3HDAC4 | |
| Butylbenzyl SCHEMBL28004392 | 0.89 | ALDH1A1 (0.66) | ALDH1A1HPGDHSD17B10HDAC3HDAC4 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104402850-A | 3-p-butylphenyl2-oxo-1-oxaspiro(4,4)-non-3-en-4-ol derivative and application thereof | SHANDONG KANGQIAO BIO TECHNOLOGY CO LTD | 2015-03-11 | — | — | CN | claimed |
| CN-109010916-A | Containing the mouldable preparation of aerobic sterol in acellular tissue matrices | 华沙整形外科股份有限公司 | 2018-12-18 | — | — | CN | disclosed |
| CN-108715694-A | Modified drift-sand and the plastic grain containing the modification drift-sand | 上海加略实业有限公司 | 2018-10-30 | — | — | CN | disclosed |
| CN-104844825-A | Modified aeolian sands and a PC/PMMA composite material comprising the modified aeolian sands | HAO QINGQING | 2015-08-19 | — | — | CN | disclosed |
| CN-104829868-A | Modified wind-blown sand and PA composite material containing same | HAO QINGQING | 2015-08-12 | — | — | CN | disclosed |
| CN-104817723-A | Modified wind-blown sand and PA66 (polyamide 66) composite material comprising same | HAO QINGQING | 2015-08-05 | — | — | CN | disclosed |
| CN-104817724-A | Modified wind-blown sand and PP (polypropylene) composite material comprising same | HAO QINGQING | 2015-08-05 | — | — | CN | disclosed |
| CN-104817722-A | Modified wind-blown sand and PS (polystyrene) composite material comprising same | HAO QINGQING | 2015-08-05 | — | — | CN | disclosed |
| CN-104788729-A | Modified aeolian sand and PVC (polyvinyl chloride) composite material comprising same | HAO QINGQING | 2015-07-22 | — | — | CN | disclosed |
| CN-104788724-A | Modified aeolian sand and PET (polyethylene terephthalate) composite material comprising same | HAO QINGQING | 2015-07-22 | — | — | CN | disclosed |
| CN-104788730-A | Modified aeolian sand and PC (polycarbonate) composite material comprising same | HAO QINGQING | 2015-07-22 | — | — | CN | disclosed |
| CN-104402850-A | 3-p-butylphenyl2-oxo-1-oxaspiro(4,4)-non-3-en-4-ol derivative and application thereof | SHANDONG KANGQIAO BIO TECHNOLOGY CO LTD | 2015-03-11 | — | — | CN | disclosed |
| CN-1179972-C | Growth-promoting hormone secretagogues | — | 2004-12-15 | — | — | CN | disclosed |
| CN-1347420-A | Growth-promoting hormone secretagogues | LILLY CO ELI (US) | 2002-05-01 | — | — | CN | disclosed |