Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | MDM4 | O15151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 7/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MARS1 | P56192 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3594733 | 0.90 | CXCR2 (0.44) | ALDH1A1GAAHPGDCXCR2CNR1 | |
| SCHEMBL3600972 | 0.89 | DPP4 (0.41) | ALDH1A1GAAHPGDCNR1MDM4 | |
| SCHEMBL3592478 | 0.89 | P2RX7 (0.44) | ALDH1A1MDM4MDM2DPP4DPP8 | |
| SCHEMBL3605612 | 0.88 | CNR1 (0.43) | CNR1DPP4DPP8CYP3A4CYP2C19 | |
| SCHEMBL3597273 | 0.88 | CXCR2 (0.40) | ALDH1A1GAAHPGDCXCR2CNR1 | |
| SCHEMBL3595008 | 0.87 | CXCR2 (0.50) | CXCR2TP53DPP4 | |
| SCHEMBL3599359 | 0.87 | CXCR2 (0.40) | ALDH1A1GAAHPGDCXCR2CNR1 | |
| SCHEMBL3598037 | 0.86 | CXCR2 (0.47) | ALDH1A1CXCR2CNR1TP53DPP4 | |
| SCHEMBL3600416 | 0.86 | CNR1 (0.42) | CNR1MDM4MDM2DPP4DPP8 | |
| SCHEMBL3602324 | 0.86 | CYP11B1 (0.41) | ALDH1A1GAAHPGDCNR1TP53 |
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 |