Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Propane. 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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL5755629 | 0.89 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL1275643 | 0.86 | CYP3A4 (0.35) | TDP1CYP3A4TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL8797597 | 0.83 | CYP3A4 (0.32) | TDP1CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL5764560 | 0.80 | SLC6A2 (0.31) | TDP1CYP3A4SLC6A2TAAR1MAOA | |
| Hydrochloric Acid SCHEMBL67801 | 0.77 | CYP3A4 (0.35) | TDP1CYP3A4ESR1ESR2SLC6A2 | |
| Propane SCHEMBL27796760 | 0.75 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL28233649 | 0.75 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL7939002 | 0.74 | TDP1 (0.48) | TDP1CYP3A4TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7048237 | 0.74 | TDP1 (0.63) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL2694891 | 0.72 | TDP1 (0.39) | TDP1CYP3A4TP53ESR1ESR2 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778502-B | Viscoelastic fluorescent conjugated polymer and preparation method thereof | 深圳大学 | 2023-06-13 | — | — | CN | claimed |
| CN-105669365-B | Aryl or heteroaryl compound containing difluoroalkyl substitution, preparation method and application | 中国科学院上海有机化学研究所 | 2022-06-21 | — | — | CN | claimed |
| CN-112079865-B | Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof | 中国科学院上海有机化学研究所 | 2022-03-01 | — | — | CN | claimed |
| CN-112778502-A | Viscoelastic fluorescent conjugated polymer and preparation method thereof | 深圳大学 | 2021-05-11 | — | — | CN | claimed |
| CN-110523354-B | Preparation method of microreactor containing immobilized catalyst | 浙江大学 | 2021-01-19 | — | — | CN | claimed |
| CN-112079865-A | Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof | 中国科学院上海有机化学研究所 | 2020-12-15 | — | — | CN | claimed |
| CN-106748673-B | Preparation method of 5- {2- (ethylthio) propyl } -3-hydroxy-cyclohex-2-enone | 潍坊先达化工有限公司 | 2020-05-19 | — | — | CN | claimed |
| CN-117288823-A | Application of chiral helical structure polymer in chiral gas phase detection | 合肥工业大学 | 2023-12-26 | — | — | CN | disclosed |
| CN-112778502-B | Viscoelastic fluorescent conjugated polymer and preparation method thereof | 深圳大学 | 2023-06-13 | — | — | CN | disclosed |
| CN-112079865-B | Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof | 中国科学院上海有机化学研究所 | 2022-03-01 | — | — | CN | disclosed |
| CN-112778502-A | Viscoelastic fluorescent conjugated polymer and preparation method thereof | 深圳大学 | 2021-05-11 | — | — | CN | disclosed |
| CN-112079865-A | Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof | 中国科学院上海有机化学研究所 | 2020-12-15 | — | — | CN | disclosed |
| CN-107108483-B | Preparation method and intermediate of 2- [ 1-cycloalkylethyl ] phenol | 四川海思科制药有限公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-107074675-B | Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-107108416-B | Preparation method of 1, 2-dicyclopropylethylphenol and optical isomer thereof | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |
| EP-1375496-B1 | N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT | EISAI R&D MAN CO LTD (JP) | 2007-07-04 | — | — | EP | disclosed |
| EP-1740578-A1 | 4- 2- (CYCLOALKYLAMINO) PYRIMIDIN-4-YL ] - (PHENYL) - IMIDAZOLIN-2- ONE DERIVATIVES AS P38 MAP- KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | TANABE SEIYAKU CO., LTD. (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105790-A1 | 4- 2- (CYCLOALKYLAMINO) PYRIMIDIN-4-YL ! - (PHENYL) - IMIDAZOLIN-2- ONE DERIVATIVES AS P38 MAP- KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | TANABE SEIYAKU CO., LTD. (JP) | 2005-11-10 | — | — | WO | disclosed |
| US-6599917-B1 | A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor | EISAI CO., LTD. (JP) | 2003-07-29 | — | — | US | disclosed |
| US-6355365-B1 | FOR USE IN ORGANIC ELECTRO LUMINESCENCE (EL) DEVICE; EFFICIENCY | JAPAN CHEMICAL INNOVATION INSTITUTE (JP) | 2002-03-12 | — | — | US | disclosed |