Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.38 |
| ▸ | PNLIP | P16233 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.36 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ATP1A1 | P05023 | 6/20 | 0.34 |
| ▸ | ATP1B1 | P05026 | 6/20 | 0.34 |
| ▸ | ATP1A3 | P13637 | 6/20 | 0.34 |
| ▸ | ATP1B2 | P14415 | 6/20 | 0.34 |
| ▸ | ATP1A2 | P50993 | 6/20 | 0.34 |
| ▸ | ATP1B3 | P54709 | 6/20 | 0.34 |
| ▸ | FXYD2 | P54710 | 6/20 | 0.34 |
| ▸ | ATP1A4 | Q13733 | 6/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30585219 | 1.00 | RPS6KA5 (0.38) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL30585236 | 1.00 | RPS6KA5 (0.38) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL25436327 | 1.00 | RPS6KA5 (0.38) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL31592694 | 1.00 | RPS6KA5 (0.38) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL25436451 | 0.85 | PNLIP (0.47) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL25434347 | 0.85 | PNLIP (0.47) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL25431737 | 0.85 | PNLIP (0.47) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL31592751 | 0.85 | PNLIP (0.47) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL30585228 | 0.83 | ATP1A1 (0.36) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 | |
| SCHEMBL31592691 | 0.80 | PNLIP (0.38) | RPS6KA5MAPKAPK2PNLIPPTPN1PTPN2 |
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-2023156429-A1 | PROCESS FOR PREPARING OCTAHYDRO-2(1H)-NAPHTHALENONE DERIVATIVES | FIRMENICH SA (CH) | 2023-08-24 | — | — | WO | disclosed |