Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.52 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.52 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | ADH1B | P00325 | 1/20 | 0.46 |
| ▸ | ADH1C | P00326 | 1/20 | 0.46 |
| ▸ | ADH1A | P07327 | 1/20 | 0.46 |
| ▸ | ADH4 | P08319 | 1/20 | 0.46 |
| ▸ | ADH7 | P40394 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15758487 | 1.00 | ALDH1A1 (0.56) | ALDH1A1TSHRCA2CA1S1PR2 | |
| SCHEMBL11581874 | 1.00 | ALDH1A1 (0.56) | ALDH1A1TSHRCA2CA1S1PR2 | |
| SCHEMBL27990209 | 0.92 | ALDH1A1 (0.48) | ALDH1A1TSHRCA2CA1S1PR2 | |
| SCHEMBL5446119 | 0.92 | TSHR (0.50) | ALDH1A1TSHRCA2CA1S1PR2 | |
| Dodecane SCHEMBL27985012 | 0.89 | EPHX1 (0.48) | TSHRCA2CA1EPHX1CA12 | |
| Octane SCHEMBL10634241 | 0.89 | EPHX1 (0.48) | TSHRCA2CA1EPHX1CA12 | |
| Sulfuric Acid SCHEMBL2214631 | 0.86 | ALDH1A1 (0.68) | ALDH1A1TSHRCA2CA1S1PR2 | |
| Sulfuric Acid SCHEMBL6397070 | 0.86 | ALDH1A1 (0.68) | ALDH1A1TSHRCA2CA1S1PR2 | |
| Sulfuric Acid SCHEMBL9422571 | 0.86 | ALDH1A1 (0.68) | ALDH1A1TSHRCA2CA1S1PR2 | |
| Sulfuric Acid SCHEMBL4050513 | 0.86 | ALDH1A1 (0.68) | ALDH1A1TSHRCA2CA1S1PR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5212037-A | TONER PROCESS WITH METAL OXIDES | XEROX CORPORATION (US) | 1993-05-18 | — | — | US | disclosed |
| US-5051196-A | Fabric softener of a quaternary ammonium salts and crosslinked polysiloxanes | COLGATE-PALMOLIVE CO. (US) | 1991-09-24 | — | — | US | disclosed |
| EP-0354856-A2 | New softening compositions and methods for making and using same | Colgate-Palmolive Company (US) | 1990-02-14 | — | — | EP | disclosed |