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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | LPAR3 | Q9UBY5 | 6/20 | 0.52 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.48 |
| ▸ | FDPS | P14324 | 3/20 | 0.46 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.46 |
| ▸ | GGPS1 | O95749 | 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 | |
|---|---|---|---|---|
| Hexadecane SCHEMBL27622001 | 1.00 | TSHR (0.57) | TSHRTHRBLPAR3LPAR2CES2 | |
| Octane SCHEMBL9562358 | 0.93 | TSHR (0.57) | TSHRTHRBLPAR3LPAR2CES2 | |
| Phosphoric Acid SCHEMBL28502658 | 0.93 | TSHR (0.57) | TSHRTHRBLPAR3LPAR2CES2 | |
| Phosphoric Acid SCHEMBL29690595 | 0.93 | TSHR (0.57) | TSHRTHRBLPAR3LPAR2CES2 | |
| Dodecane SCHEMBL28845849 | 0.93 | TSHR (0.57) | TSHRTHRBLPAR3LPAR2CES2 | |
| Hexadecane SCHEMBL27683859 | 0.93 | TSHR (0.57) | TSHRTHRBLPAR3LPAR2CES2 | |
| Hexadecane SCHEMBL27782648 | 0.91 | LPAR3 (0.59) | LPAR3LPAR2CES2CES1FDPS | |
| Octane SCHEMBL30819274 | 0.88 | LPAR3 (0.56) | LPAR3LPAR2FDPSLPAR1GGPS1 | |
| Potassium Ion SCHEMBL23037450 | 0.86 | LPAR3 (0.54) | TSHRLPAR3LPAR2TRPM8 | |
| Potassium Ion SCHEMBL2686259 | 0.86 | LPAR3 (0.54) | TSHRLPAR3LPAR2TRPM8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5200385-A | Comprising leuco dye, color developer and water soluble alkylphosphate lubricants; antifogging, smoothness | RICOH COMPANY, LTD. (JP) | 1993-04-06 | — | — | US | claimed |
| US-5200385-A | Comprising leuco dye, color developer and water soluble alkylphosphate lubricants; antifogging, smoothness | RICOH COMPANY, LTD. (JP) | 1993-04-06 | — | — | US | disclosed |