Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Propylparaben. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.93 |
| ▸ | TSHR | P16473 | 3/20 | 0.93 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.93 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.93 |
| ▸ | KDR | P35968 | 1/20 | 0.93 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.93 |
| ▸ | LMNA | P02545 | 4/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.74 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.74 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.67 |
| ▸ | CA12 | O43570 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | CA7 | P43166 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Propylparaben SCHEMBL977 | 0.96 | ESR1 (1.00) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL429594 | 0.96 | ESR1 (1.00) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL7200410 | 0.95 | ESR1 (0.89) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL6670652 | 0.95 | ESR1 (0.89) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL5671589 | 0.94 | ESR1 (0.96) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL6315856 | 0.94 | ESR1 (0.96) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL8779117 | 0.94 | ESR1 (0.96) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL1135822 | 0.94 | ESR1 (0.96) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL1010568 | 0.94 | ESR1 (0.96) | ESR1ALDH1A1TSHRCHRM1SLC6A2 | |
| Propylparaben SCHEMBL9406450 | 0.94 | ESR1 (0.96) | ESR1ALDH1A1TSHRCHRM1SLC6A2 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021101777-A1 | SELF-SOLIDIFYING TOPICAL FORMULATIONS WITH LOCAL ANESTHETIC | ZHANG JIE (US) | 2021-05-27 | — | — | WO | claimed |
| CN-107137576-A | A kind of pharmaceutical preparation for preventing and treating human papilloma virus infection and preparation method thereof | 陕西萃生医疗科技有限公司 | 2017-09-08 | — | — | CN | claimed |
| CN-106106513-A | A kind of compositions preventing and treating planthopper and preparation method thereof | 项正威 | 2016-11-16 | — | — | CN | claimed |
| CN-105941433-A | Composition for preventing and treating rice blast and preparation method thereof | 刘慎权 | 2016-09-21 | — | — | CN | claimed |
| CN-1036700-C | Gel-like medicine for treating mucosal lesion and precancerous lesion and preparation method thereof | QINGDAO MUNICIPAL HOSPITAL (CN) | 1997-12-17 | — | — | CN | claimed |
| CN-113768946-A | Ointment for treating diabetic skin complications and preparation method thereof | 南京帝昌医药科技有限公司 | 2021-12-10 | — | — | CN | disclosed |
| WO-2021101777-A1 | SELF-SOLIDIFYING TOPICAL FORMULATIONS WITH LOCAL ANESTHETIC | ZHANG JIE (US) | 2021-05-27 | — | — | WO | disclosed |
| WO-2021045005-A1 | COMPOSITION FOR EXTERNAL APPLICATION | ロート製薬株式会社 | 2021-03-11 | — | — | WO | disclosed |
| CN-111526878-A | Pharmaceutical composition containing triterpenes and application thereof | 上海蓝木化工有限公司 | 2020-08-11 | — | — | CN | disclosed |
| CN-111377992-A | Medical application of triterpenoid | 上海蓝木化工有限公司 | 2020-07-07 | — | — | CN | disclosed |
| CN-111377993-A | New application of triterpenoid | 上海蓝木化工有限公司 | 2020-07-07 | — | — | CN | disclosed |
| CN-107961231-B | Cream for improving diabetic skin complications and preparation method thereof | 上海交通大学医学院附属瑞金医院 | 2020-06-05 | — | — | CN | disclosed |
| CN-106572957-A | Skin color-improving agent and composition for improving skin color | 昭和电工株式会社 | 2017-04-19 | — | — | CN | disclosed |
| CN-106106513-A | A kind of compositions preventing and treating planthopper and preparation method thereof | 项正威 | 2016-11-16 | — | — | CN | disclosed |
| CN-105941433-A | Composition for preventing and treating rice blast and preparation method thereof | 刘慎权 | 2016-09-21 | — | — | CN | disclosed |
| CN-102725305-B | Melanocortin-1 receptor-specific cyclic peptides | 帕拉丁科技公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-1322545-A | Fracture setting ointment with the function of promoting bone growth | ZHANG GUOXIAN (CN) | 2001-11-21 | — | — | CN | disclosed |
| CN-1322546-A | Fracture setting ointment with the function of promoting bone healing | ZHANG GUOXIAN (CN) | 2001-11-21 | — | — | CN | disclosed |
| US-6150403-A | INHIBITING SEBACEOUS GLAND ACTIVITY IN MAMMALIAN SKIN AND SCALP BY TOPICALLY ADMINISTERING DEHYDROACETIC ACID OR SALT AND A DERMATOLOGICALLY ACCEPTABLE CARRIER; TREATING ACNE | THE PROCTER & GAMBLE COMPANY (US) | 2000-11-21 | — | — | US | disclosed |
| CN-1036700-C | Gel-like medicine for treating mucosal lesion and precancerous lesion and preparation method thereof | QINGDAO MUNICIPAL HOSPITAL (CN) | 1997-12-17 | — | — | CN | disclosed |