Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 6/20 | 0.60 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.60 |
| ▸ | FDPS | P14324 | 12/20 | 0.55 |
| ▸ | GGPS1 | O95749 | 4/20 | 0.52 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.52 |
| ▸ | LAP3 | P28838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL8829468 | 1.00 | LPAR3 (0.60) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Hexane SCHEMBL27653577 | 0.97 | LPAR3 (0.57) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Nonane SCHEMBL11301883 | 0.97 | LPAR3 (0.65) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Hexane SCHEMBL27668811 | 0.96 | LPAR3 (0.63) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Hexane SCHEMBL18769800 | 0.96 | LPAR3 (0.63) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Hexane SCHEMBL6862689 | 0.96 | LPAR3 (0.63) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Phosphoric Acid SCHEMBL11131007 | 0.93 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Octane SCHEMBL4445679 | 0.93 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Octane SCHEMBL3458550 | 0.93 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Decane SCHEMBL11045607 | 0.93 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111909197-B | Preparation method of triphosphate compound and deoxynucleotide | 深圳清华大学研究院 | 2023-03-03 | — | — | CN | disclosed |