Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8188884 | 0.84 | NISCH (0.58) | NISCHALDH1A1HPGDCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8196901 | 0.84 | NISCH (0.50) | NISCHALDH1A1HPGDCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8202804 | 0.81 | NISCH (0.59) | NISCHALDH1A1HPGDCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8201933 | 0.81 | NISCH (0.46) | NISCHALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL8189601 | 0.81 | NISCH (0.49) | NISCHALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL8188068 | 0.81 | NISCH (0.50) | NISCHALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL8194659 | 0.80 | NISCH (0.58) | NISCHADRA2AADRA2BADRA2CPDCD1LG2 | |
| SCHEMBL8200480 | 0.80 | NISCH (0.44) | NISCHALDH1A1HPGDCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8188988 | 0.79 | NISCH (0.46) | NISCHALDH1A1HPGDCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8197571 | 0.78 | NISCH (0.46) | NISCHALDH1A1HPGDCYP1A2CYP2D6 |
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-2000078726-A1 | IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |