Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Octane. 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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | FAAH | O00519 | 2/20 | 0.50 |
| ▸ | PPARA | Q07869 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Tetradecane SCHEMBL9394165 | 1.00 | TP53 (0.54) | TP53TSHRTHRBCA1CA2 | |
| Dodecane SCHEMBL27360283 | 1.00 | TP53 (0.54) | TP53TSHRTHRBCA1CA2 | |
| Tetradecane SCHEMBL36174 | 1.00 | TP53 (0.54) | TP53TSHRTHRBCA1CA2 | |
| Dodecane SCHEMBL27360284 | 1.00 | TP53 (0.54) | TP53TSHRTHRBCA1CA2 | |
| Tetradecane SCHEMBL272077 | 0.97 | TSHR (0.57) | TP53TSHRTHRBCA1CA2 | |
| Sulfuric Acid SCHEMBL1484174 | 0.97 | TSHR (0.57) | TP53TSHRTHRBCA1CA2 | |
| Decane SCHEMBL13275986 | 0.97 | TSHR (0.57) | TP53TSHRTHRBCA1CA2 | |
| Nonane SCHEMBL10614203 | 0.97 | TSHR (0.57) | TP53TSHRTHRBCA1CA2 | |
| Heptane SCHEMBL8024410 | 0.97 | TSHR (0.57) | TP53TSHRTHRBCA1CA2 | |
| Decane SCHEMBL13586006 | 0.97 | TSHR (0.57) | TP53TSHRTHRBCA1CA2 |
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-8900472-B2 | Texturing and cleaning agent for the surface treatment of wafers and use thereof | Fraunhofer-Gesellschaft zur Föerderung der Angewandten Forschung E.V. (DE) | 2014-12-02 | — | — | US | disclosed |
| EP-2229431-B1 | TEXTURING AND CLEANING MEDIUM FOR THE SURFACE TREATMENT OF WAFERS AND USE THEREOF | FRAUNHOFER GES FORSCHUNG (DE) | 2013-02-20 | — | — | EP | disclosed |
| US-20110092074-A1 | Texturing and cleaning agent for the surface treatment of wafers and use thereof | FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) | 2011-04-21 | — | — | US | disclosed |
| EP-2229431-A2 | TEXTURING AND CLEANING MEDIUM FOR THE SURFACE TREATMENT OF WAFERS AND USE THEREOF | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009071333-A2 | TEXTURING AND CLEANING MEDIUM FOR THE SURFACE TREATMENT OF WAFERS AND USE THEREOF | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2009-06-11 | — | — | WO | disclosed |