Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.89 |
| ▸ | THRB | P10828 | 1/20 | 0.89 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Pentadecane SCHEMBL31325852 | 1.00 | TSHR (0.89) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL9775404 | 1.00 | — | — | |
| Decane SCHEMBL4069588 | 1.00 | TSHR (0.89) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Dodecane SCHEMBL1436181 | 1.00 | TSHR (0.89) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL2124278 | 1.00 | — | — | |
| Decane SCHEMBL6379470 | 1.00 | TSHR (0.89) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Iodide SCHEMBL9769999 | 1.00 | TSHR (0.89) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Iodide SCHEMBL6404777 | 1.00 | TSHR (0.89) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Nonane SCHEMBL132977 | 1.00 | TSHR (0.89) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Tridecane SCHEMBL31325853 | 1.00 | TSHR (0.89) | TSHRTHRBLMNADNM1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6906189-B2 | Catalysts and methods for catalytic oxidation | PROCTER & GAMBLE COMPANY (US) | 2005-06-14 | — | — | US | disclosed |
| US-20030036473-A1 | Catalysts and methods for catalytic oxidation | THE PROCTER & GAMBLE COMPANY | 2003-02-20 | — | — | US | disclosed |
| EP-0973855-A1 | BLEACH COMPOSITIONS CONTAINING METAL BLEACH CATALYST, AND BLEACH ACTIVATORS AND/OR ORGANIC PERCARBOXYLIC ACIDS | THE PROCTER & GAMBLE COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| EP-0966323-A1 | CATALYSTS AND METHODS FOR CATALYTIC OXIDATION | The University of Kanses (US) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998039098-A1 | CATALYSTS AND METHODS FOR CATALYTIC OXIDATION | THE UNIVERSITY OF KANSAS (US) | 1998-09-11 | — | — | WO | disclosed |
| WO-1998039405-A1 | BLEACH COMPOSITIONS CONTAINING METAL BLEACH CATALYST, AND BLEACH ACTIVATORS AND/OR ORGANIC PERCARBOXYLIC ACIDS | THE PROCTER & GAMBLE COMPANY (US) | 1998-09-11 | — | — | WO | disclosed |