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 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.60 |
| ▸ | LMNA | P02545 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.41 |
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 SCHEMBL1547760 | 0.96 | TSHR (0.67) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Octane SCHEMBL9311322 | 0.96 | TSHR (0.67) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL18921395 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL378683 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL8823 | 0.95 | — | — | |
| Hexane SCHEMBL3826930 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL5014044 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL7802385 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL378546 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL18920351 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 |
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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113834882-B | Method for detecting flurbiprofen axetil isomer | 北京泰德制药股份有限公司 | 2023-07-28 | — | — | CN | claimed |
| CN-113834882-A | Method for detecting flurbiprofen axetil isomer | 北京泰德制药股份有限公司 | 2021-12-24 | — | — | CN | claimed |
| CN-112305107-A | Apremilast composition of phosphodiesterase-4 inhibitor and quality detection method | 杭州朱养心药业有限公司 | 2021-02-02 | — | — | CN | claimed |
| US-11744832-B2 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | INCYTE CORPORATION (US) | 2023-09-05 | — | — | US | disclosed |
| CN-113834882-B | Method for detecting flurbiprofen axetil isomer | 北京泰德制药股份有限公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-115166073-B | Method for detecting isomer of I Sha Zuomi or salt thereof | 北京泰德制药股份有限公司 | 2023-06-13 | — | — | CN | disclosed |
| WO-2023101115-A1 | PREPARATION METHOD FOR HIGH PURITY 1-(1-(2-BENZYL PHENOXY)PROPAN-2-YL)-2-METHYLPIPERIDINE SINGLE ISOMER | 주식회사 브이에스팜텍 | 2023-06-08 | — | — | WO | disclosed |
| US-20220395506-A1 | HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS | INCYTE CORPORATION | 2022-12-15 | — | — | US | disclosed |
| CN-115166073-A | Method for detecting ixazofamid or salt isomer thereof | 北京泰德制药股份有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-110940740-B | Detection method of L-alpha-glycerophosphorylcholine isomer | 江苏威奇达药业有限公司 | 2022-09-13 | — | — | CN | disclosed |
| EP-3347355-B1 | HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS | ICAHN SCHOOL MED MOUNT SINAI (US) | 2022-07-13 | — | — | EP | disclosed |
| US-5840552-A | USING MICROORGANISMS OR MICROBIAL ENZYME SYSTEM TO PRODUCE STEREOSPECIFIC ENANTIOMERS; ANTIULCER AGENTS | ASTRA AKTIEBOLAG (SE) | 1998-11-24 | — | — | US | disclosed |
| US-5776765-A | ISOLATION OF ISOMER FROM RACEMIC MIXTURE | ASTRA AKTIEBOLAG (SE) | 1998-07-07 | — | — | US | disclosed |
| EP-0795024-A1 | ENANTIOSELECTIVE PREPARATION OF PHARMACEUTICALLY ACTIVE SULFOXIDES BY BIOOXIDATION | Astra Aktiebolag (SE) | 1997-09-17 | — | — | EP | disclosed |
| EP-0791584-A1 | OPTICALLY ACTIVE COMPOUND | NIPPON SODA CO., LTD. (JP) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996017076-A1 | ENANTIOSELECTIVE PREPARATION OF PHARMACEUTICALLY ACTIVE SULFOXIDES BY BIOOXIDATION | ASTRA AKTIEBOLAG (SE) | 1996-06-06 | — | — | WO | disclosed |
| CN-1115579-A | Mixed solvent composition | AG TECHNOLOGY CORP (JP) | 1996-01-24 | — | — | CN | disclosed |
| US-4617401-A | ANTISPASMODIC AGENTS, VASODILATORS | SUNTORY LTD. (JP) | 1986-10-14 | — | — | US | disclosed |
| US-4507232-A | Peptide derivatives | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1985-03-26 | — | — | US | disclosed |
| EP-0113996-A2 | Peptide derivatives | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1984-07-25 | — | — | EP | 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-20220395506-A1 | HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS | JAK3, JAK1, JAK2 | SMN1; SMN2 3741/4885TSHR 3192/4885LMNA 4785/4885 |
| US-11744832-B2 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | JAK3, JAK1, JAK2 | SMN1; SMN2 3741/4885TSHR 3192/4885LMNA 4785/4885 |
“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.