Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.42 |
| ▸ | PPARG | P37231 | 7/20 | 0.42 |
| ▸ | PPARD | Q03181 | 7/20 | 0.42 |
| ▸ | PPARA | Q07869 | 7/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.42 |
| ▸ | TLR2 | O60603 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
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 SCHEMBL2643538 | 0.98 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Hexane SCHEMBL1483605 | 0.98 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Heptane SCHEMBL7082313 | 0.95 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Hexane SCHEMBL11311110 | 0.95 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Hexane SCHEMBL11635720 | 0.95 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Hexane SCHEMBL6720430 | 0.95 | ALDH1A1 (0.78) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Hexane SCHEMBL4114183 | 0.95 | ALDH1A1 (0.78) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Hexane SCHEMBL10002813 | 0.95 | ALDH1A1 (0.78) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Hexane SCHEMBL15769141 | 0.95 | ALDH1A1 (0.78) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Hexane SCHEMBL6566880 | 0.95 | ALDH1A1 (0.78) | ALDH1A1HSD17B10LMNAFAAHTSHR |
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 866 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114217004-A | Windproof detection method based on thin-layer chromatography | 长春中医药大学 | 2022-03-22 | — | — | CN | claimed |
| CN-105505574-A | Method for preparing high-purity ricinus oil according to chromatographic separation | NANJING WELL CHEMICAL CO LTD | 2016-04-20 | — | — | CN | claimed |
| CN-103412059-B | A kind of dispersive tablets of Fuyankang for gynecological inflammation method of quality control | SHENZHEN GUOYUAN SINOPHARM CO., LTD. (CN) | 2015-12-09 | — | — | CN | claimed |
| CN-101564512-B | Quality control method of hyperthyroidism resistance powder | JILIN AODONG GROUP VIGOR PHARMACEUTICAL CO LTD | 2013-03-27 | — | — | CN | claimed |
| CN-101564512-A | Quality control method of hyperthyroidism resistance powder | JILIN AODONG GROUP VIGOR PHARM (CN) | 2009-10-28 | — | — | CN | claimed |
| WO-2024143314-A1 | RADIOLABELED MEDICINE | 国立大学法人千葉大学 | 2024-07-04 | — | — | WO | disclosed |
| CN-115201398-B | Quality detection method for radix seu herba Kadsurae Longipedunculatae, extract and preparation thereof | 桂林三金药业股份有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-117623921-A | Preparation method of 1, 2-dioleate glyceride | 南京威尔生物科技有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-117607335-A | Thin layer chromatography for simultaneously identifying herba Agastaches, notopterygii rhizoma, rhizoma Atractylodis and herba Menthae in the SHIYIWEIQINGGAN mixture | 厦门市健康医疗大数据中心(厦门市医药研究所) | 2024-02-27 | — | — | CN | disclosed |
| CN-117512025-A | Preparation method of conjugated linoleic acid glyceride | 山东金胜粮油食品有限公司 | 2024-02-06 | — | — | CN | disclosed |
| WO-2024026290-A1 | NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS | CAYMAN CHEMICAL COMPANY INCORPORATED (US) | 2024-02-01 | — | — | WO | disclosed |
| US-11884624-B2 | Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions | CAYMAN CHEMICAL COMPANY, INC. (US) | 2024-01-30 | — | — | US | disclosed |
| US-4254036-A | 1-Hydroxymethyl-1-oxo-prostane-derivatives of the E, A and F-series | AMERICAN CYANAMID COMPANY (US) | 1981-03-03 | — | — | US | disclosed |
| US-4226775-A | HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| EP-0015056-A1 | 1-Hydroxymethyl-1-oxo-prostane derivatives of the E, A and F series | AMERICAN CYANAMID COMPANY (US) | 1980-09-03 | — | — | EP | disclosed |
| EP-0010347-A1 | Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation | AMERICAN CYANAMID COMPANY (US) | 1980-04-30 | — | — | EP | disclosed |
| US-4172949-A | 2,4-Disubstituted-5-oxo-5H-dibenzo[a,d]cycloheptenes | SYNTEX (U.S.A.) INC. (US) | 1979-10-30 | — | — | US | disclosed |
| EP-0002590-A1 | Novel prostaglandin compounds, processes for the preparation thereof and pharmaceutical compositions containing them | AMERICAN CYANAMID COMPANY (US) | 1979-06-27 | — | — | EP | disclosed |
| US-4059611-A | Oxidative process for the preparation of 2-(5H-dibenzo[a,d]cyclohepten-5-on-2-yl)acetic, propionic and butyric acid | SYNTEX (U.S.A.) INC. (US) | 1977-11-22 | — | — | US | disclosed |
| US-4001306-A | INHIBITION OF PLATELET AGGREGATION; NASAL PATENCY, LABOR INDUCEMENT, CONTROLLING BLOOD PRESSURE | THE UPJOHN COMPANY (US) | 1977-01-04 | — | — | 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-11884624-B2 | Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions | PTGER4, PTGER1, PTGER3 | ESR1 151/4885ALDH1A1 654/4885HSD17B10 4117/4885 |
“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.