Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Octadecyl Sulfate. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.47 |
| ▸ | CA2 | P00918 | 11/20 | 0.47 |
| ▸ | CA9 | Q16790 | 8/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | FNTA | P49354 | 2/20 | 0.41 |
| ▸ | FNTB | P49356 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL97879 | 1.00 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL927251 | 1.00 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL28174378 | 1.00 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL428821 | 1.00 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL5083280 | 1.00 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL29391743 | 0.98 | CA1 (0.46) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL10861143 | 0.94 | CA1 (0.46) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL10686337 | 0.94 | CA1 (0.42) | CA1CA2CA9CA12CA7 | |
| SCHEMBL27529151 | 0.93 | CA1 (0.44) | CA1CA2CA9CA12CA7 | |
| SCHEMBL22800845 | 0.91 | CA1 (0.52) | CA1CA2CA9CA12CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999013835-A1 | CONDITIONING SHAMPOO COMPOSITION COMPRISING HIGH MOLECULAR WEIGHT ESTER OIL | THE PROCTER & GAMBLE COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |