Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NISCH | Q9Y2I1 | 5/20 | 0.48 |
| ▸ | MAOB | P27338 | 8/20 | 0.47 |
| ▸ | MAOA | P21397 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TOP2A | P11388 | 2/20 | 0.43 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8214278 | 0.80 | ALDH1A1 (0.65) | CYP1A2NISCHMAOBMAOAHPGD | |
| SCHEMBL29065449 | 0.80 | NPC1 (0.60) | CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1794747 | 0.80 | TOP2A (0.61) | CYP1A2NISCHMAOBMAOAHPGD | |
| SCHEMBL8203245 | 0.80 | NISCH (0.48) | CYP1A2NISCHMAOBMAOAHPGD | |
| Hydrochloric Acid SCHEMBL1795721 | 0.79 | TOP2A (0.62) | CYP1A2NISCHMAOBMAOAHPGD | |
| SCHEMBL8201404 | 0.77 | NISCH (0.56) | CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1796041 | 0.77 | NISCH (0.56) | CYP1A2NISCHMAOBMAOAHPGD | |
| Hydrochloric Acid SCHEMBL8196753 | 0.76 | TOP2A (0.55) | CYP1A2NISCHMAOBMAOAHPGD | |
| Hydrochloric Acid SCHEMBL1796884 | 0.76 | NISCH (0.55) | CYP1A2NISCHMAOBMAOAHPGD | |
| SCHEMBL8211455 | 0.74 | NISCH (0.65) | CYP1A2NISCHMAOBMAOAHPGD |
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 |