Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 3/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3597273 | 0.93 | CXCR2 (0.40) | CXCR2NPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3599359 | 0.92 | CXCR2 (0.40) | CXCR2NPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3595338 | 0.92 | PNMT (0.41) | CXCR2SMN1; SMN2L3MBTL1CNR1HTT | |
| SCHEMBL3593028 | 0.90 | ALDH1A1 (0.44) | CXCR2CYP2C19ALDH1A1GAAHPGD | |
| SCHEMBL3599723 | 0.88 | CNR1 (0.42) | CNR1MDM4TP53MDM2HSD11B1 | |
| SCHEMBL3595829 | 0.86 | CYP3A4 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3600919 | 0.85 | MDM4 (0.42) | CNR1MDM4TP53MDM2HSD11B1 | |
| SCHEMBL3600935 | 0.83 | TP53 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3604955 | 0.81 | DPP4 (0.48) | CXCR2NPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3607967 | 0.81 | DPP4 (0.41) | CNR1HSD11B1DPP4DPP8 |
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 |