Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
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 SCHEMBL9425560 | 0.96 | SMN1; SMN2 (0.53) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 | |
| Hexane SCHEMBL28233968 | 0.96 | SMN1; SMN2 (0.53) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 | |
| Heptane SCHEMBL1098325 | 0.96 | TSHR (0.59) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 | |
| Hexane SCHEMBL1233732 | 0.89 | TSHR (0.59) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 | |
| Hexane SCHEMBL398717 | 0.88 | TSHR (0.56) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 | |
| Hexane SCHEMBL7540084 | 0.88 | TSHR (0.56) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 | |
| Hexane SCHEMBL9430852 | 0.88 | TSHR (0.56) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 | |
| Hexane SCHEMBL7995860 | 0.88 | TSHR (0.56) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 | |
| Hexane SCHEMBL6576 | 0.88 | — | — | |
| Hexane SCHEMBL7176518 | 0.88 | TSHR (0.64) | SMN1; SMN2TSHRALDH1A1LMNAHSD17B10 |
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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106706818-B | A kind of Ezetimibe intermediate optical purity assay method | 广州骏思知识产权管理咨询有限公司韶关分公司 | 2018-08-03 | — | — | CN | claimed |
| CN-106706818-A | Measurement method for optical purity of ezetimibe intermediate | 谭惠娟 | 2017-05-24 | — | — | CN | claimed |
| EP-4271383-A1 | AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES | Merck Sharp & Dohme LLC (US) | 2023-11-08 | — | — | EP | disclosed |
| EP-4262808-A1 | FUSED BICYCLIC PYRAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES | Merck Sharp & Dohme LLC (US) | 2023-10-25 | — | — | EP | disclosed |
| US-20230115176-A1 | Complement Modulators and Related Methods | RA PHARMACEUTICALS, INC. | 2023-04-13 | — | — | US | disclosed |
| WO-2022146755-A1 | AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES | MERCK SHARP & DOHME CORP. (US) | 2022-07-07 | — | — | WO | disclosed |
| WO-2022132686-A1 | FUSED BICYCLIC PYRAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES | MERCK SHARP & DOHME CORP. (US) | 2022-06-23 | — | — | WO | disclosed |
| EP-3947352-A1 | COMPLEMENT MODULATORS AND RELATED METHODS | RA Pharmaceuticals, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| CN-107505427-B | Thin-layer chromatography detection method for traditional Chinese medicine rheum palmatum | 义乌兰思体育用品有限公司 | 2020-11-20 | — | — | CN | disclosed |
| WO-2020205501-A1 | COMPLEMENT MODULATORS AND RELATED METHODS | RA PHARMACEUTICALS, INC. (US) | 2020-10-08 | — | — | WO | disclosed |
| CN-106706818-B | A kind of Ezetimibe intermediate optical purity assay method | 广州骏思知识产权管理咨询有限公司韶关分公司 | 2018-08-03 | — | — | CN | disclosed |
| WO-1995003416-A1 | CLAVULANIC ACID DEHYDROGENASE, PREPARATION AND USE FOR THE PRODUCTION OF CLAVULANIC ACID | SMITHKLINE BEECHAM PLC (GB) | 1995-02-02 | — | — | WO | disclosed |
| US-5158970-A | Prolylendopeplidase inhibitors; antiamnesia | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1992-10-27 | — | — | US | disclosed |
| US-5108912-A | Aerobic fermentation of micromonospora in liquid medium containign source of carbon, mitrogen, inorganic salts and bromine or iodine | AMERICAN CYANAMID COMPANY (US) | 1992-04-28 | — | — | US | disclosed |
| WO-1991009848-A1 | PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS | THE UPJOHN COMPANY (US) | 1991-07-11 | — | — | WO | disclosed |
| US-4970198-A | MICROMONOSPORA; ANTICARCINOGENIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1990-11-13 | — | — | US | disclosed |
| US-4866082-A | Inhibition of bone loss by (-)-N-[[(5-chloro-2-benzothiazolyl)thio]phenylacetyl]-L-cysteine | AMERICAN HOME PRODUCTS CORPORATION (US) | 1989-09-12 | — | — | US | disclosed |
| EP-0276485-A2 | Dihydro derivatives of LL-E33288 antibiotics | AMERICAN CYANAMID COMPANY (US) | 1988-08-03 | — | — | EP | disclosed |
| US-4601984-A | Process to produce antibiotics X-14873 A, G and H | HOFFMANN-LA ROCHE INC. (US) | 1986-07-22 | — | — | US | disclosed |
| US-4410712-A | Antibiotics X-14873 A, G and H | HOFFMANN-LA ROCHE INC. (US) | 1983-10-18 | — | — | 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 (1 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-20230115176-A1 | Complement Modulators and Related Methods | C5, C9, C1QBP | SMN1; SMN2 1808/4885TSHR 3798/4885ALDH1A1 4659/4885 |
“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.