Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Decane. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | FAAH | O00519 | 2/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Octane SCHEMBL8478071 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Nonane SCHEMBL10614203 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Octane SCHEMBL1593657 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Tetradecane SCHEMBL272077 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Dodecane SCHEMBL1939550 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Decane SCHEMBL13275986 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Hexadecane SCHEMBL2541310 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Decane SCHEMBL13586006 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Heptane SCHEMBL8024410 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Sulfuric Acid SCHEMBL1484174 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113045511-B | Gemini dication Bronsted acid ionic liquid containing sulfonyl ring and preparation method thereof | 华中科技大学 | 2023-03-31 | — | — | CN | disclosed |
| US-20120263883-A1 | RESIN MODIFIER | KAO CORPORATION (JP) | 2012-10-18 | — | — | US | disclosed |
| EP-1765849-A4 | PROCESS FOR PROTEIN ISOLATION | AVT PLASMA LTD (AU) | 2007-09-05 | — | — | EP | disclosed |
| EP-1765849-A1 | PROCESS FOR PROTEIN ISOLATION | AVT Plasma Limited (AU) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005121165-A1 | PROCESS FOR PROTEIN ISOLATION | AVT PLASMA LIMITED (AU) | 2005-12-22 | — | — | 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 (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-20120263883-A1 | RESIN MODIFIER | RTN3, ATL3, ARCN1 | TSHR 3086/4885THRB 4423/4885TP53 3373/4885 |
“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.