Known targets — ChEMBL curated mechanism
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
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 2/20 | 0.48 |
| ▸ | FAAH | O00519 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Nonane SCHEMBL10614203 | 0.96 | TSHR (0.57) | TP53CA1CA2TSHRTHRB | |
| Tetradecane SCHEMBL272077 | 0.96 | TSHR (0.57) | TP53CA1CA2TSHRTHRB | |
| Sulfuric Acid SCHEMBL1484174 | 0.96 | TSHR (0.57) | TP53CA1CA2TSHRTHRB | |
| Heptane SCHEMBL8024410 | 0.96 | TSHR (0.57) | TP53CA1CA2TSHRTHRB | |
| Decane SCHEMBL13586006 | 0.96 | TSHR (0.57) | TP53CA1CA2TSHRTHRB | |
| Hexane SCHEMBL25306909 | 0.96 | TP53 (0.56) | TP53CA1CA2TSHRTHRB | |
| Decane SCHEMBL13275986 | 0.96 | TSHR (0.57) | TP53CA1CA2TSHRTHRB | |
| Dodecane SCHEMBL1939550 | 0.96 | TSHR (0.57) | TP53CA1CA2TSHRTHRB | |
| Hexane SCHEMBL21802132 | 0.96 | TP53 (0.56) | TP53CA1CA2TSHRTHRB | |
| Hexadecane SCHEMBL2541310 | 0.96 | TSHR (0.57) | TP53CA1CA2TSHRTHRB |
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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104557704-A | Preparation method of pixantrone maleate | BEIJING CHIRAL TECH PHARMACEUTICAL CO LTD | 2015-04-29 | — | — | CN | claimed |
| CN-113646931-B | Nonaqueous electrolyte for battery and lithium secondary battery | 三井化学株式会社 | 2024-09-10 | — | — | CN | disclosed |
| CN-112444513-B | Polycyclic aromatic hydrocarbon contaminated soil restoration effect evaluation method and detection kit | 北京建工环境修复股份有限公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-113045511-B | Gemini dication Bronsted acid ionic liquid containing sulfonyl ring and preparation method thereof | 华中科技大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-112803067-B | Electrolyte and lithium secondary battery comprising same | 广州天赐高新材料股份有限公司 | 2023-02-24 | — | — | CN | disclosed |
| CN-111741980-B | Heparin and heparan sulfate oligosaccharides | 新加坡科技研究局 | 2023-02-17 | — | — | CN | disclosed |
| US-20220238909-A1 | SECONDARY LITHIUM-ION BATTERY ELECTROLYTE SOLUTION FOR REDUCING BATTERY RESISTANCE AND SECONDARY LITHIUM-ION BATTERY THEREOF | GUANGZHOU TINCI MATERIALS TECHNOLOGY CO., LTD. (CN) | 2022-07-28 | — | — | US | disclosed |
| CN-110212235-B | Lithium secondary battery electrolyte capable of reducing battery impedance and lithium secondary battery thereof | 广州天赐高新材料股份有限公司 | 2022-04-08 | — | — | CN | disclosed |
| EP-3972024-A1 | SECONDARY LITHIUM-ION BATTERY ELECTROLYTE FOR REDUCING BATTERY RESISTANCE AND SECONDARY LITHIUM-ION BATTERY THEREOF | Guangzhou Tinci Materials Technology Co., Ltd. (CN) | 2022-03-23 | — | — | EP | disclosed |
| CN-113785039-A | Polypeptides having beta-glucanase activity, polynucleotides encoding same and use thereof in cleaning and detergent compositions | 诺维信公司 | 2021-12-10 | — | — | CN | disclosed |
| WO-2011123732-A1 | COMPOSITION COMPRISING MODIFIED ORGANOSILICONES | THE PROCTER & GAMBLE COMPANY (US) | 2011-10-06 | — | — | WO | disclosed |
| WO-2011123739-A1 | COMPOSITIONS COMPRISING ORGANOSILICONES | THE PROCTER & GAMBLE COMPANY (US) | 2011-10-06 | — | — | WO | disclosed |
| US-20110243871-A1 | ORGANOSILICONES | THE PROCTER & GAMBLE COMPANY | 2011-10-06 | — | — | US | disclosed |
| US-20110243875-A1 | CARE POLYMERS | THE PROCTER & GAMBLE COMPANY | 2011-10-06 | — | — | US | disclosed |
| EP-1765849-A4 | PROCESS FOR PROTEIN ISOLATION | AVT PLASMA LTD (AU) | 2007-09-05 | — | — | EP | disclosed |
| EP-1765849-A1 | PROCESS FOR PROTEIN ISOLATION | AVT Plasma Limited (AU) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005121165-A1 | PROCESS FOR PROTEIN ISOLATION | AVT PLASMA LIMITED (AU) | 2005-12-22 | — | — | WO | disclosed |
| US-4485828-A | Use of substituted methyl isopropyl cyclohexenones in augmenting or enhancing the aroma or taste of smoking tobacco compositions and smoking tobacco article components | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-12-04 | — | — | US | disclosed |
| US-4449008-A | FROM ISOBUTYRALDEHYDE AND ACETONE OR METHYL ETHYL KETONE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-05-15 | — | — | US | disclosed |
| US-4400311-A | Substituted methyl isopropyl cyclohexenones, organoleptic uses thereof and process for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-08-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110243871-A1 | ORGANOSILICONES | NISCH, XRCC6, RAD50 | TP53 413/4885CA1 3544/4885CA2 4431/4885 |
| US-20110243875-A1 | CARE POLYMERS | SMURF1, PUF60, PCBP1 | TP53 1325/4885CA1 3923/4885CA2 4657/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.