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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
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 SCHEMBL1147860 | 0.97 | SMN1; SMN2 (0.50) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Heptane SCHEMBL392030 | 0.94 | LMNA (0.53) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Hexane SCHEMBL27706711 | 0.94 | TSHR (0.47) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Hexane SCHEMBL9857870 | 0.88 | SMN1; SMN2 (0.43) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Hexane SCHEMBL9422173 | 0.87 | TSHR (0.54) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Hexane SCHEMBL120948 | 0.87 | TSHR (0.54) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Hexane SCHEMBL28094651 | 0.86 | SMN1; SMN2 (0.41) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Butyl Alcohol SCHEMBL27874272 | 0.85 | ALDH1A1 (0.65) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Heptane SCHEMBL5761773 | 0.84 | LMNA (0.43) | SMN1; SMN2LMNATSHRALDH1A1HSD17B10 | |
| Tetradecane SCHEMBL28338948 | 0.83 | TSHR (0.61) | LMNATSHRALDH1A1HSD17B10MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117969685-A | Liquid chromatographic separation detection method for nicotine and enantiomer thereof | 苏州博研医药科技有限公司 | 2024-05-03 | — | — | CN | claimed |
| CN-117969685-A | Liquid chromatographic separation detection method for nicotine and enantiomer thereof | 苏州博研医药科技有限公司 | 2024-05-03 | — | — | CN | disclosed |
| US-11046663-B2 | Entecavir intermediate, synthetic method thereof and synthetic method for entecavir | LAUNCH-PHARMA TECHNOLOGIES, LTD. (CN) | 2021-06-29 | — | — | US | disclosed |
| US-20200255390-A1 | ENTECAVIR INTERMEDIATE, SYNTHETIC METHOD THEREOF AND SYNTHETIC METHOD FOR ENTECAVIR | LAUNCH-PHARMA TECHNOLOGIES, LTD. (CN) | 2020-08-13 | — | — | 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 (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-20200255390-A1 | ENTECAVIR INTERMEDIATE, SYNTHETIC METHOD THEREOF AND SYNTHETIC METHOD FOR ENTECAVIR | ENTPD5, SAMHD1, ENTPD8 | SMN1; SMN2 4135/4885LMNA 3103/4885TSHR 4374/4885 |
| US-11046663-B2 | Entecavir intermediate, synthetic method thereof and synthetic method for entecavir | ENTPD5, SAMHD1, ENTPD8 | SMN1; SMN2 4135/4885LMNA 3103/4885TSHR 4374/4885 |
“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.