Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexadecane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.48 |
| ▸ | ADH1B | P00325 | 1/20 | 0.48 |
| ▸ | ADH1C | P00326 | 1/20 | 0.48 |
| ▸ | ADH1A | P07327 | 1/20 | 0.48 |
| ▸ | ADH4 | P08319 | 1/20 | 0.48 |
| ▸ | ADH7 | P40394 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL5948790 | 1.00 | TSHR (0.61) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Undecane SCHEMBL27662245 | 1.00 | TSHR (0.61) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Octane SCHEMBL5948730 | 1.00 | TSHR (0.61) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Dodecane SCHEMBL28187764 | 1.00 | TSHR (0.61) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Diethylamine SCHEMBL634116 | 1.00 | TSHR (0.61) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Hexane SCHEMBL373706 | 0.96 | TP53 (0.67) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Hexane SCHEMBL27867939 | 0.92 | TP53 (0.61) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Hexane SCHEMBL27824585 | 0.92 | TP53 (0.61) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Heptane SCHEMBL1155265 | 0.90 | TSHR (0.53) | TSHRTHRBTP53ALDH1A1EPHX1 | |
| Hexane SCHEMBL6168142 | 0.89 | TP53 (0.57) | TSHRTHRBTP53ALDH1A1EPHX1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453087-B1 | Microelectronic assembly | HENKEL CORP (US) | 2012-02-22 | — | — | EP | disclosed |
| US-7309724-B2 | Thermosetting resin compositions containing maleimide and/or vinyl compounds | HENKEL CORPORATION (US) | 2007-12-18 | — | — | US | disclosed |
| US-20050137277-A1 | Thermosetting resin compositions containing maleimide and/or vinyl compounds | HENKEL CORPORATION | 2005-06-23 | — | — | US | disclosed |
| EP-1453087-A1 | Microelectronic assembly | Henkel Corporation (US) | 2004-09-01 | — | — | EP | disclosed |
| EP-0778857-B1 | THERMOSETTING RESIN COMPOSITIONS CONTAINING MALEIMIDE AND/OR VINYL COMPOUNDS | HENKEL CORP (US) | 2004-07-21 | — | — | EP | disclosed |
| EP-1359144-A1 | Method for the preparation of bismaleimides | Henkel Loctite Corporation (US) | 2003-11-05 | — | — | EP | disclosed |
| EP-1344789-A2 | Thermosetting resin composition containing malemide and/or vinyl compounds | QUANTUM MATERIALS, INC. (US) | 2003-09-17 | — | — | EP | disclosed |
| US-5269811-A | Primary fluid actuated, secondary fluid propelling system | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 1993-12-14 | — | — | US | disclosed |
| EP-0467999-A1 | ELECTROHYDRAULIC DRIVE FOR PUMPS E.G. ARTIFICIAL HEARTS. | CA NAT RESEARCH COUNCIL (CA) | 1992-01-29 | — | — | EP | disclosed |
| WO-1991008003-A1 | ELECTROHYDRAULIC DRIVE FOR PUMPS E.G. ARTIFICIAL HEARTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 1991-06-13 | — | — | WO | disclosed |