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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | DGKA | P23743 | 1/20 | 0.36 |
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 SCHEMBL8542408 | 0.96 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10FAAHPRKCA | |
| Hexane SCHEMBL27474015 | 0.96 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10FAAHPRKCA | |
| Hexane SCHEMBL133237 | 0.96 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10FAAHPRKCA | |
| Heptane SCHEMBL4621147 | 0.94 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10FAAHPRKCA | |
| Hexane SCHEMBL27838107 | 0.94 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10FAAHPRKCA | |
| Hexane SCHEMBL2545621 | 0.94 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10FAAHPRKCA | |
| Hexane SCHEMBL28081841 | 0.92 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Heptane SCHEMBL4126646 | 0.92 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10FAAHPRKCA | |
| Ethyl Acetate SCHEMBL7604155 | 0.91 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10FAAHPRKCA | |
| Ethyl Acetate SCHEMBL471941 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRMAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6949543-B2 | Amide derivative | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2005-09-27 | — | — | US | disclosed |
| CN-1196701-C | Synthesis of 1, 3-oxaselenolane nucleoside and anti-human immunodeficiency virus and anti-hepatitis B virus activity | UNIV EMORY (US) | 2005-04-13 | — | — | CN | disclosed |
| US-20040034232-A1 | Amide derivative | ASTELLAS PHARMA INC. (JP) | 2004-02-19 | — | — | US | disclosed |
| CN-1473157-A | Amide derivatives | ֮����ҩ��ʽ���� | 2004-02-04 | — | — | CN | disclosed |
| EP-1340750-A1 | AMIDE DERIVATIVES | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2003-09-03 | — | — | EP | disclosed |
| CN-1391473-A | VLA-4 inhibitor compounds | DAIICHI SEIYAKU CO (JP) | 2003-01-15 | — | — | CN | disclosed |
| CN-1255132-A | Synthesis, anti-human immunodeficiency virus and anti-hepatitis B virus activities of 1-3-oxaselenolane nucleosides | UNIV EMORY (US) | 2000-05-31 | — | — | 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-20040034232-A1 | Amide derivative | HDAC2, ZC3HAV1, HDAC4 | ALDH1A1 3774/4885LMNA 4369/4885HSD17B10 3179/4885 |
“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.