Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 13/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 13/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6532310 | 0.74 | NPSR1 (0.49) | ALDH1A1HPGD | |
| SCHEMBL6532882 | 0.73 | BTK (0.31) | — | |
| SCHEMBL6530486 | 0.70 | DPP4 (0.71) | — | |
| SCHEMBL6529823 | 0.68 | DPP4 (0.51) | ALDH1A1HPGD | |
| SCHEMBL14424571 | 0.61 | SMN1; SMN2 (0.32) | ALDH1A1HPGDCYP3A4 | |
| SCHEMBL5749008 | 0.58 | — | — | |
| SCHEMBL12171809 | 0.58 | MYC (0.58) | ALDH1A1HPGDCYP3A4 | |
| SCHEMBL12171104 | 0.57 | NPC1 (0.62) | ALDH1A1HPGDCYP3A4 | |
| SCHEMBL28352246 | 0.57 | HPGD (0.55) | ALDH1A1HPGD | |
| SCHEMBL8491000 | 0.57 | PDK2 (0.51) | ALDH1A1HPGD |
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-2005037828-A1 | NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT | LG LIFE SCIENCES LTD. (KR) | 2005-04-28 | — | — | WO | disclosed |