Known targets — ChEMBL curated mechanism
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 | 0.73 |
| ▸ | THRB | P10828 | 1/20 | 0.73 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 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 | |
|---|---|---|---|---|
| Nonane SCHEMBL27586793 | 0.95 | TSHR (0.80) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Hexane SCHEMBL466691 | 0.91 | — | — | |
| Heptane SCHEMBL27335116 | 0.86 | — | — | |
| Nonane SCHEMBL8821202 | 0.85 | TSHR (1.00) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Decane SCHEMBL23499900 | 0.85 | TSHR (1.00) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL23854647 | 0.85 | TSHR (1.00) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Hexadecane SCHEMBL23499901 | 0.85 | TSHR (1.00) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Decane SCHEMBL3666565 | 0.85 | TSHR (1.00) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Dodecane SCHEMBL8503923 | 0.85 | TSHR (1.00) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL6049145 | 0.85 | TSHR (1.00) | TSHRTHRBDNM1ALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1979354-A1 | DIAZA-SPIRO-[4, 5]-DECANES USEFUL AS PESTICIDES | Syngeta Participations AG (CH) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007085945-A1 | DIAZA-SPIRO [4 . 5] DECANES USEFUL AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2007-08-02 | — | — | WO | disclosed |