Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Octanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 3/20 | 0.57 |
| ▸ | TLR2 | O60603 | 2/20 | 0.45 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Proline SCHEMBL523469 | 0.92 | PRCP (0.45) | PRCPALDH1A1MEN1KMT2ABLM | |
| Proline SCHEMBL14976459 | 0.88 | PRCP (0.49) | PRCPTLR2DPP7ALDH1A1MEN1 | |
| Proline SCHEMBL523389 | 0.86 | PRCP (0.42) | PRCPALDH1A1MEN1KMT2ABLM | |
| Tetrahexylammonium SCHEMBL28000488 | 0.86 | PRCP (0.56) | PRCPTLR2DPP7ALDH1A1HSD17B10 | |
| Proline SCHEMBL28101561 | 0.86 | PRCP (0.56) | PRCPTLR2DPP7ALDH1A1MEN1 | |
| Proline SCHEMBL29262501 | 0.86 | PRCP (0.56) | PRCPTLR2DPP7ALDH1A1MEN1 | |
| Proline SCHEMBL27518126 | 0.86 | PRCP (0.56) | PRCPTLR2DPP7ALDH1A1MEN1 | |
| Dodecanoate SCHEMBL17223919 | 0.86 | PRCP (0.56) | PRCPTLR2ALDH1A1MEN1KMT2A | |
| Decanoic Acid SCHEMBL13279505 | 0.86 | PRCP (0.56) | PRCPTLR2ALDH1A1MEN1KMT2A | |
| Proline SCHEMBL28032319 | 0.86 | PRCP (0.56) | PRCPTLR2DPP7ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2324002-A2 | PROCESSES FOR THE PREPARATION OF SGLT2 INHIBITORS | Theracos, Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010022313-A2 | PROCESSES FOR THE PREPARATION OF SGLT2 INHIBITORS | THERACOS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |