Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ERN1 | O75460 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL17318487 | 0.86 | CA12 (0.45) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL3643414 | 0.83 | BUB1 (0.34) | CA12CA1CA2CA9GPR119 | |
| SCHEMBL10175184 | 0.81 | CA12 (0.46) | CA12CA1CA2CA9GPR119 | |
| SCHEMBL7672393 | 0.79 | CA12 (0.44) | CA12CA1CA2CA9GPR119 | |
| SCHEMBL4014644 | 0.79 | MELK (0.37) | GAATSHRMAPTNPC1ALDH1A1 | |
| SCHEMBL14894360 | 0.77 | SLC22A12 (0.48) | CYP1A2CYP2C19GAAMEN1CYP3A4 | |
| SCHEMBL4057138 | 0.76 | SIRT3 (0.36) | GPR119CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL4893069 | 0.76 | AOC1 (0.53) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL7330298 | 0.76 | CA12 (0.41) | CA12CA1CA2CA9GPR119 | |
| SCHEMBL16671024 | 0.76 | CYP2E1 (0.41) | CYP1A2CYP2C19CYP3A4CYP2E1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015187934-A1 | FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE | CUREVEDA, LLC (US) | 2015-12-10 | — | — | WO | disclosed |
| WO-2011147951-A1 | CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS | PROSIDION LIMITED (GB) | 2011-12-01 | — | — | WO | disclosed |