Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.78 |
| ▸ | THRB | P10828 | 1/20 | 0.78 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.54 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 SCHEMBL2596532 | 1.00 | — | — | |
| Hexane SCHEMBL2945100 | 1.00 | — | — | |
| Iodide SCHEMBL9769999 | 0.94 | TSHR (0.89) | TSHRTHRBLMNASLC22A1DNM1 | |
| Heptane SCHEMBL9775404 | 0.94 | — | — | |
| Dodecane SCHEMBL1436181 | 0.94 | TSHR (0.89) | TSHRTHRBLMNASLC22A1DNM1 | |
| Decane SCHEMBL6404763 | 0.94 | TSHR (0.89) | TSHRTHRBLMNASLC22A1DNM1 | |
| Heptane SCHEMBL2124278 | 0.94 | — | — | |
| Iodide SCHEMBL6404777 | 0.94 | TSHR (0.89) | TSHRTHRBLMNASLC22A1DNM1 | |
| Nonane SCHEMBL132977 | 0.94 | TSHR (0.89) | TSHRTHRBLMNASLC22A1DNM1 | |
| Decane SCHEMBL6379470 | 0.94 | TSHR (0.89) | TSHRTHRBLMNASLC22A1DNM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12247246-B2 | Identification of inhibitors of TcpC and TIR NADase activity | WASHINGTON UNIVERSITY (US) | 2025-03-11 | — | — | US | disclosed |
| US-20230272449-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | WASHINGTON UNIVERSITY | 2023-08-31 | — | — | US | disclosed |
| US-5027157-A | Developing device provided with electrodes for inducing a traveling wave on the developing material | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1991-06-25 | — | — | US | disclosed |
| US-4867541-A | FILM FORMED BY PLASMA POLYMERIZATION OF PHTHALOCYANINE COMPOUND | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1989-09-19 | — | — | US | disclosed |
| US-4828369-A | ELECTROLYTES, PLASMA POLYMERIZATION OF HYDROCARBON, ALKALI METAL /COMPOUND/, ELECTRONEGATIVITY | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1989-05-09 | — | — | 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-20230272449-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | NADK, NAPRT, TIPARP | TSHR 2861/4885THRB 917/4885LMNA 3303/4885 |
| US-12247246-B2 | Identification of inhibitors of TcpC and TIR NADase activity | NADK, NAPRT, TIPARP | TSHR 2861/4885THRB 917/4885LMNA 3303/4885 |
“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.