Known targets — ChEMBL curated mechanism
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL935276 | 0.97 | TSHR (0.50) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| Heptane SCHEMBL1155265 | 0.97 | TSHR (0.53) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| Heptane SCHEMBL14054407 | 0.94 | TSHR (0.50) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| Heptane SCHEMBL29108016 | 0.94 | TSHR (0.50) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| Hexane SCHEMBL6168142 | 0.90 | TP53 (0.57) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| Hexane SCHEMBL373706 | 0.89 | TP53 (0.67) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| 1-Hexanol SCHEMBL29104172 | 0.89 | TSHR (0.68) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| Hexane SCHEMBL2397294 | 0.89 | TSHR (0.43) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| Hexane SCHEMBL28985133 | 0.89 | TSHR (0.43) | TP53TSHRSMN1; SMN2ALDH1A1LMNA | |
| Hexane SCHEMBL6583195 | 0.87 | TSHR (0.42) | TP53TSHRSMN1; SMN2ALDH1A1LMNA |
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 304 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118090929-A | Analysis method for detecting content of enantiomer of methoxyetomidate hydrochloride | 锦州奥鸿药业有限责任公司 | 2024-05-28 | — | — | CN | claimed |
| CN-117007706-A | Anisodamine hydrobromide isomer detection method | 广西铭磊维生制药有限公司 | 2023-11-07 | — | — | CN | claimed |
| CN-111323529-B | Method for separating and measuring dextromethorphan and levomethaphen by liquid chromatography | 广东华南药业集团有限公司 | 2023-08-25 | — | — | CN | claimed |
| CN-115728414-A | Detection method of 2 enantiomer of Idosebant intermediate | 武汉海特生物创新医药研究有限公司 | 2023-03-03 | — | — | CN | claimed |
| CN-114839308-A | Method for detecting L-tryptophan methyl ester hydrochloride in D-tryptophan methyl ester hydrochloride | 江苏天士力帝益药业有限公司 | 2022-08-02 | — | — | CN | claimed |
| CN-111323529-A | Method for separating and measuring dextromethorphan and levomethorphan by liquid chromatography | 广东华南药业集团有限公司 | 2020-06-23 | — | — | CN | claimed |
| CN-104833740-A | HPLC (High Performance Liquid Chromatography) method for rivaroxaban intermediate | CHENGDU BAIYU SCIENCE & TECHNOLOGY PHARMACEUTICAL CO LTD | 2015-08-12 | — | — | CN | claimed |
| US-20240182465-A1 | FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) | 2024-06-06 | — | — | US | disclosed |
| CN-118090929-A | Analysis method for detecting content of enantiomer of methoxyetomidate hydrochloride | 锦州奥鸿药业有限责任公司 | 2024-05-28 | — | — | CN | disclosed |
| US-20240150296-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | WILMINGTON TRUST, NATIONAL ASSOCIATION | 2024-05-09 | — | — | US | disclosed |
| US-20240150295-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | WILMINGTON TRUST, NATIONAL ASSOCIATION | 2024-05-09 | — | — | US | disclosed |
| CN-117723680-B | Separation detection method for lobelia hydrochloride impurity | 苏州博研医药科技有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-117723680-A | Separation detection method for lobelia hydrochloride impurity | 苏州博研医药科技有限公司 | 2024-03-19 | — | — | CN | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| US-5552552-A | ENZYME INHIBITORS FOR LIPIDPEROXIDASE FOR TREATMENT OF STROKE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-03 | — | — | US | disclosed |
| EP-0635012-B1 | UNBRIDGED BIS-ARYL CARBINOL DERIVATIVES, COMPOSITIONS AND METHODS OF USE | SCHERING CORP (US) | 1996-07-10 | — | — | EP | disclosed |
| US-5478941-A | Useful in treatment of asthma, allergies, inflammation and anxiety; antihistaminic activity | U C B, S.A. (BE) | 1995-12-26 | — | — | US | disclosed |
| CN-1093706-A | Crystalline salt and the preparation and the purposes of the amino coumaran derivative of optically-active | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-10-19 | — | — | CN | disclosed |
| EP-0601547-A1 | Crystalline salts of optically active aminocoumaran derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1993020063-A1 | UNBRIDGED BIS-ARYL CARBINOL DERIVATIVES, COMPOSITIONS AND METHODS OF USE | SCHERING CORPORATION (US) | 1993-10-14 | — | — | WO | 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 (3 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-20240150296-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | KLKB1, KLK5, KLK1 | TP53 4560/4885TSHR 3844/4885SMN1; SMN2 3399/4885 |
| US-20240150295-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | KLKB1, KLK5, KLK1 | TP53 4560/4885TSHR 3844/4885SMN1; SMN2 3399/4885 |
| US-20240182465-A1 | FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | WEE1, WEE2, HASPIN | TP53 1390/4885TSHR 4703/4885SMN1; SMN2 4568/4885 |
“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.