Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.43 |
| ▸ | CCR1 | P32246 | 8/20 | 0.37 |
| ▸ | CCR2 | P41597 | 8/20 | 0.37 |
| ▸ | CCR4 | P51679 | 6/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14610530 | 0.80 | CCR1 (0.49) | CYP19A1CCR1CCR2CCR4CYP3A4 | |
| SCHEMBL5301838 | 0.74 | CCR1 (0.54) | CYP19A1CCR1CCR2CCR4CYP3A4 | |
| SCHEMBL12468869 | 0.72 | CYP19A1 (0.70) | CYP19A1CCR1CCR2MEN1ALDH1A1 | |
| SCHEMBL8801557 | 0.72 | CYP19A1 (0.58) | CYP19A1CCR1CCR2CCR4MEN1 | |
| SCHEMBL29820003 | 0.72 | CYP19A1 (0.70) | CYP19A1CCR1CCR2MEN1ALDH1A1 | |
| SCHEMBL5402217 | 0.69 | CYP19A1 (0.41) | DPP4CYP19A1CCR1CCR2CCR4 | |
| SCHEMBL28263864 | 0.69 | CYP19A1 (0.68) | CYP19A1CCR1CCR2CCR4 | |
| SCHEMBL12468796 | 0.67 | CYP19A1 (0.50) | DPP4CYP19A1CCR1CCR2CCR4 | |
| SCHEMBL12468753 | 0.67 | CYP19A1 (0.55) | DPP4CYP19A1CCR1CCR2ALDH1A1 | |
| SCHEMBL27818246 | 0.66 | CYP19A1 (0.53) | CYP19A1CCR1CCR2CCR4HTR1A |
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-2007014054-A2 | BENZENESULFONAMIDE INHIBITOR OF CCR2 CHEMOKINE RECEPTOR | GLAXO GROUP LIMTED (GB) | 2007-02-01 | — | — | WO | disclosed |