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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.58 |
| ▸ | PPARG | P37231 | 7/20 | 0.58 |
| ▸ | PPARD | Q03181 | 7/20 | 0.58 |
| ▸ | PPARA | Q07869 | 7/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TLR2 | O60603 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | FABP4 | P15090 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.58 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.58 |
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 SCHEMBL29961959 | 1.00 | AKR1B1 (0.61) | AKR1B1GPR84PPARGPPARDPPARA | |
| Oxalic Acid SCHEMBL29374141 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octane SCHEMBL29554931 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Dodecane SCHEMBL27664718 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Nonane SCHEMBL20424067 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Heptane SCHEMBL29366051 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Decane SCHEMBL9082736 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Nonane SCHEMBL30314239 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Heptane SCHEMBL8495878 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octane SCHEMBL27319833 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143317-B | Aliphatic/semi-aromatic block copolyamides | 罗地亚经营管理公司 | 2018-11-09 | — | — | CN | claimed |
| CN-108602950-A | Inhibit the method for the formation of foam in hydrophilic polyamide manufacture | 英威达纺织（英国）有限公司 | 2018-09-28 | — | — | CN | claimed |
| US-11304958-B2 | Multidentate phenanthridine-containing ligand frameworks and their planar monofunctional platinum complexes for cancer treatment | UNIVERSITY OF MANITOBA (CA) | 2022-04-19 | — | — | US | disclosed |
| CN-105051098-B | Oxygen removes plastic material | 科莱恩金融(BVI)有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-105949729-B | Thermoplastic molding compounds | 朗盛德国有限责任公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107892798-A | Thermoplastic molded compound | 朗盛德国有限责任公司 | 2018-04-10 | — | — | CN | disclosed |
| CN-105949729-A | Thermoplastic molding compounds | 朗盛德国有限责任公司 | 2016-09-21 | — | — | CN | disclosed |
| CN-104379652-B | Polarity solubility oxygen-scavenging compositions and goods thereof | 碧欧撤曼特克斯有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-103619866-B | Derivatives of C4-monomethyl triterpenoids and methods of use thereof | 里亚塔医药公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-102109490-B | Method for Analyzing Hemoglobin by Electrophoresis | ARKRAY, INC. (JP) | 2016-05-25 | — | — | CN | disclosed |
| CN-103619866-A | Derivatives of C4-monomethyl triterpenoids and methods of use thereof | REATA PHARMACEUTICALS INC | 2014-03-05 | — | — | CN | disclosed |
| CN-1087936-C | Antipsychotic method | NOVO NORDISK AS (DK) | 2002-07-24 | — | — | CN | disclosed |
| CN-1133008-A | Antipsychotic method | NOVO NORDISK AS (DK) | 1996-10-09 | — | — | CN | 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-11304958-B2 | Multidentate phenanthridine-containing ligand frameworks and their planar monofunctional platinum complexes for cancer treatment | PDCD1, BID, PDCD1LG2 | AKR1B1 4207/4885GPR84 1941/4885PPARG 1214/4885 |
“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.