Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexadecyl Dihydrogen Phosphate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 12/20 | 0.72 |
| ▸ | LPAR2 | Q9HBW0 | 9/20 | 0.72 |
| ▸ | LPAR1 | Q92633 | 7/20 | 0.72 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| Phosphoric Acid Monododecyl Ester SCHEMBL1882508 | 1.00 | LPAR3 (0.72) | LPAR3LPAR2LPAR1LPAR5S1PR2 | |
| Diethanolamine SCHEMBL27863592 | 1.00 | LPAR3 (0.72) | LPAR3LPAR2LPAR1LPAR5S1PR2 | |
| Diethanolamine SCHEMBL11424123 | 1.00 | LPAR3 (0.72) | LPAR3LPAR2LPAR1LPAR5S1PR2 | |
| Phosphoric Acid Monotetradecyl Ester SCHEMBL28891633 | 1.00 | LPAR3 (0.72) | LPAR3LPAR2LPAR1LPAR5S1PR2 | |
| Diethanolamine SCHEMBL31042095 | 1.00 | LPAR3 (0.72) | LPAR3LPAR2LPAR1LPAR5S1PR2 | |
| Hexadecyl Dihydrogen Phosphate SCHEMBL9365294 | 1.00 | LPAR3 (0.72) | LPAR3LPAR2LPAR1LPAR5S1PR2 | |
| Hexadecyl Dihydrogen Phosphate SCHEMBL63165 | 1.00 | LPAR3 (0.72) | LPAR3LPAR2LPAR1LPAR5S1PR2 | |
| Phosphoric Acid Monododecyl Ester SCHEMBL29070679 | 0.98 | LPAR3 (0.70) | LPAR3LPAR2LPAR1LPAR5S1PR2 | |
| Diethanolamine SCHEMBL3471215 | 0.91 | LPAR3 (0.72) | LPAR3LPAR2LPAR1ENPP2 | |
| Hexadecyl Dihydrogen Phosphate SCHEMBL29103357 | 0.91 | LPAR3 (0.60) | LPAR3LPAR2LPAR1LPAR5S1PR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108384346-A | A kind of aqueous automobile plastics trim paint | 温州环诺新材料科技有限公司 | 2018-08-10 | — | — | CN | claimed |
| CN-108559381-A | A kind of aqueous automobile decorative paint | 温州鑫锐翔科技有限公司 | 2018-09-21 | — | — | CN | disclosed |
| CN-108384346-A | A kind of aqueous automobile plastics trim paint | 温州环诺新材料科技有限公司 | 2018-08-10 | — | — | CN | disclosed |