Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.70 |
| ▸ | THRB | P10828 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL8995511 | 0.95 | TSHR (0.80) | TSHRTHRBLMNASLC22A1DNM1 | |
| Decane SCHEMBL4321452 | 0.95 | TSHR (0.80) | TSHRTHRBLMNASLC22A1DNM1 | |
| Hexane SCHEMBL28591976 | 0.89 | — | — | |
| Hexane SCHEMBL7108224 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL27479709 | 0.89 | — | — | |
| Hexane SCHEMBL29049162 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL14141588 | 0.89 | — | — | |
| Hexane SCHEMBL8079333 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL29211041 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL28099489 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 |
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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101570583-B | Mono-cyclopentadienyl titanium catalyst containing phosphate ester ligand and preparation method and application thereof | PETROCHINA CO LTD | 2011-02-09 | — | — | CN | claimed |
| CN-101570583-A | Mono-cyclopentadienyl titanium catalyst containing phosphate ester ligand and preparation method and application thereof | PETROCHINA CO LTD (CN) | 2009-11-04 | — | — | CN | claimed |
| CN-101250238-A | Boroxyl half cyclopentadienyl titanium catalyst and preparation method and application thereof | PETROCHINA CO LTD (CN) | 2008-08-27 | — | — | CN | claimed |
| CN-118007102-A | Complete equipment for synthesizing ALD (atomic layer deposition) material special for electronics | 江苏容导半导体科技有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-113227164-B | polyethylene powder | 旭化成株式会社 | 2023-12-19 | — | — | CN | disclosed |
| WO-2023191080-A1 | POLYETHYLENE POWDER AND METHOD FOR PRODUCING SAME, AND OLEFIN POLYMERIZATION CATALYST AND METHOD FOR PRODUCING SAME | 旭化成株式会社 | 2023-10-05 | — | — | WO | disclosed |
| CN-110892016-B | Polyethylene composition | 旭化成株式会社 | 2023-05-23 | — | — | CN | disclosed |
| WO-2023054642-A1 | POLYOLEFIN FILM AND METHOD FOR PRODUCING POLYOLEFIN FILM | 旭化成株式会社 | 2023-04-06 | — | — | WO | disclosed |
| WO-2023054514-A1 | ULTRAHIGH-MOLECULAR-WEIGHT POLYETHYLENE POWDER AND SHAPED OBJECT OBTAINED BY SHAPING SAME | 旭化成株式会社 | 2023-04-06 | — | — | WO | disclosed |
| CN-115785316-A | Method for stopping anti-aging after synthetic rubber polymerization reaction | 山东华聚高分子材料有限公司 | 2023-03-14 | — | — | CN | disclosed |
| WO-2022270571-A1 | POLYETHYLENE POWDER AND MOLDED BODY THEREOF | 旭化成株式会社 | 2022-12-29 | — | — | WO | disclosed |
| CN-1359970-A | Process for preparing flame-retarding filler/polyethylene composite material | QILU PETROCHEMICAL CO CHINA (CN) | 2002-07-24 | — | — | CN | disclosed |
| CN-1041312-C | Preparation method of gas-phase full-density polyethylene catalyst | SHANGHAI CHEMICAL INST MINISTR (CN) | 1998-12-23 | — | — | CN | disclosed |
| WO-1997024380-A9 | HIGH EFFICIENCY CATALYST SYSTEMS | — | 1997-11-13 | — | — | WO | disclosed |
| WO-1997024380-A1 | HIGH EFFICIENCY CATALYST SYSTEMS | LYONDELL PETROCHEMICAL COMPANY (US) | 1997-07-10 | — | — | WO | disclosed |
| CN-1128767-A | Block copolymer of propylene and prepn. method thereof | SHOWA DENKO KK (JP) | 1996-08-14 | — | — | CN | disclosed |
| CN-1104220-A | Full density polyethylene high-efficiency catalyst by using gas phase method | SHANGHAI CHEMICAL TECH ACADEMY (CN) | 1995-06-28 | — | — | CN | disclosed |
| US-4973704-A | ANTICHOLESTEROL AGENTS | SANDOZ PHARM. CORP. (US) | 1990-11-27 | — | — | US | disclosed |
| EP-0343901-A2 | Method and apparatus for recovering high purity toluene, hexane titanium tetrachloride and tetrahydrofuran from mixtures | AMOCO CORPORATION (US) | 1989-11-29 | — | — | EP | disclosed |
| US-4851427-A | INHJIBITORS OF CHOLESTEROL BIOSYNTHESIS | SANDOZ PHARM. CORP. (US) | 1989-07-25 | — | — | US | disclosed |