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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.56 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.56 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.56 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.56 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.56 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.56 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.57 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.57 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.56 |
| ▸ | TACR2 | P21452 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | SHBG | P04278 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Tetradecane SCHEMBL16321707 | 1.00 | S1PR2 (0.57) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| SCHEMBL3095232 | 0.98 | S1PR2 (0.59) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| SCHEMBL447197 | 0.98 | S1PR2 (0.59) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| SCHEMBL29149315 | 0.98 | S1PR2 (0.59) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| SCHEMBL8740807 | 0.96 | S1PR2 (0.57) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| SCHEMBL4601030 | 0.91 | CA2 (0.56) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| Phenylmethanesulfonic Acid SCHEMBL19282776 | 0.90 | MEN1 (0.53) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| SCHEMBL23322428 | 0.84 | S1PR1 (0.68) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| Sulfuric Acid SCHEMBL11528215 | 0.84 | ALDH1A1 (0.58) | S1PR2S1PR1S1PR3ALDH1A1ESR1 | |
| SCHEMBL14380971 | 0.84 | S1PR1 (0.68) | S1PR2S1PR1S1PR3ALDH1A1ESR1 |
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-2014205285-A1 | METHOD OF REMOVING SILICONE RESIN FROM A SUBSTRATE | DOW CORNING CORPORATION (US) | 2014-12-24 | — | — | WO | disclosed |