Known targets — ChEMBL curated mechanism
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
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 5/20 | 0.52 |
| ▸ | LPAR3 | Q9UBY5 | 5/20 | 0.50 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.50 |
| ▸ | LAP3 | P28838 | 2/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.45 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.44 |
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 SCHEMBL27653577 | 0.85 | LPAR3 (0.57) | FDPSLPAR3LPAR2LAP3LPAR1 | |
| Hexane SCHEMBL2996051 | 0.85 | LPAR3 (0.57) | FDPSLPAR3LPAR2LAP3LPAR1 | |
| Hexane SCHEMBL3008348 | 0.85 | LPAR3 (0.57) | FDPSLPAR3LPAR2LAP3LPAR1 | |
| Hexane SCHEMBL6862689 | 0.85 | LPAR3 (0.63) | FDPSLPAR3LPAR2LAP3LPAR1 | |
| Hexane SCHEMBL18769800 | 0.85 | LPAR3 (0.63) | FDPSLPAR3LPAR2LAP3LPAR1 | |
| Hexane SCHEMBL27668811 | 0.85 | LPAR3 (0.63) | FDPSLPAR3LPAR2LAP3LPAR1 | |
| Hexane SCHEMBL1730411 | 0.85 | TSHR (0.50) | — | |
| Phosphoric Acid SCHEMBL28507765 | 0.84 | DNM1 (0.56) | FDPSLAP3SMPD1 | |
| Heptane SCHEMBL3004922 | 0.82 | LPAR3 (0.62) | FDPSLPAR3LPAR2LPAR1 | |
| Pentadecane SCHEMBL2993320 | 0.82 | LPAR3 (0.62) | FDPSLPAR3LPAR2LPAR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2182936-B1 | SUBSTRATE REDUCTION THERAPY | THE CHANCELLOR MASTERS AND SCHOLARS OF THE UNIV OF OXFORD (GB) | 2020-04-01 | — | — | EP | disclosed |
| US-20180125796-A1 | TREATMENT OF MYCOBACTERIAL INFECTION | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2018-05-10 | — | — | US | disclosed |
| US-9428541-B2 | Substrate reduction therapy | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2016-08-30 | — | — | US | disclosed |
| US-20140080769-A1 | SUBSTRATE REDUCTION THERAPY | THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) | 2014-03-20 | — | — | US | disclosed |
| US-8557844-B2 | Substrate reduction therapy | THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) | 2013-10-15 | — | — | US | disclosed |
| US-20100204162-A1 | SUBSTRATE REDUCTION THERAPY | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2010-08-12 | — | — | US | disclosed |
| EP-2182936-A2 | SUBSTRATE REDUCTION THERAPY | THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) | 2010-05-12 | — | — | EP | disclosed |
| US-20100022620-A1 | EPITOPE REDUCTION THERAPY | ISIS INNOVATION LIMITED (GB) | 2010-01-28 | — | — | US | disclosed |
| WO-2009001097-A2 | SUBSTRATE REDUCTION THERAPY | ISIS INNOVATION LIMITED (GB) | 2008-12-31 | — | — | 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 (4 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-20180125796-A1 | TREATMENT OF MYCOBACTERIAL INFECTION | UGCG, SMPD1, SMPD4 | FDPS 117/4885LPAR3 1537/4885LPAR2 1201/4885 |
| US-20100204162-A1 | SUBSTRATE REDUCTION THERAPY | GBA1, SPTLC2, NPC1L1 | FDPS 95/4885LPAR3 843/4885LPAR2 772/4885 |
| US-20140080769-A1 | SUBSTRATE REDUCTION THERAPY | GBA1, SPTLC2, NPC1L1 | FDPS 95/4885LPAR3 843/4885LPAR2 772/4885 |
| US-20100022620-A1 | EPITOPE REDUCTION THERAPY | UGCG, GBA1, ENGASE | FDPS 364/4885LPAR3 674/4885LPAR2 480/4885 |
“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.