Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 10/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3603961 | 0.97 | DPP4 (0.46) | DPP4CXCR2CYP3A4CYP2C19NPC1 | |
| SCHEMBL3604955 | 0.93 | DPP4 (0.48) | DPP4CXCR2CYP3A4CYP2C19NPC1 | |
| SCHEMBL3079559 | 0.87 | DPP4 (0.51) | DPP4CXCR2CYP3A4CYP2C19DPP8 | |
| SCHEMBL3600802 | 0.86 | DPP4 (0.44) | DPP4CXCR2DPP8CNR1 | |
| SCHEMBL3586864 | 0.85 | DPP4 (0.45) | DPP4CXCR2CYP3A4DPP8CNR1 | |
| SCHEMBL3600855 | 0.84 | DPP4 (0.45) | DPP4CYP3A4DPP8 | |
| SCHEMBL3596892 | 0.83 | DPP4 (0.44) | DPP4CYP3A4DPP8 | |
| SCHEMBL3092513 | 0.83 | DPP4 (0.47) | DPP4CYP3A4DPP8CNR1 | |
| SCHEMBL3604507 | 0.82 | DPP4 (0.47) | DPP4DPP8CNR1 | |
| SCHEMBL3597273 | 0.82 | CXCR2 (0.40) | DPP4CXCR2CYP2C19NPC1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7728146-B2 | Enzyme inhibitors | PROBIODRUG AG (DE) | 2010-06-01 | — | — | US | claimed |