Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 10/20 | 0.39 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2462976 | 0.92 | DAO (0.40) | ENPP1CCR2PDE1BDAO | |
| SCHEMBL2464959 | 0.87 | ENPP1 (0.31) | ENPP1 | |
| SCHEMBL2455163 | 0.87 | ENPP1 (0.43) | ENPP1CCR2DAO | |
| SCHEMBL2460016 | 0.87 | CCR2 (0.36) | ENPP1CCR2ALKBH3NR3C1 | |
| SCHEMBL2457421 | 0.87 | ALKBH3 (0.36) | CCR2ALKBH3PDE1BDAOCCR5 | |
| SCHEMBL2454685 | 0.86 | DAO (0.36) | ENPP1PDE1BDAO | |
| SCHEMBL2459450 | 0.85 | ENPP1 (0.47) | ENPP1CCR2ALKBH3PDE1BDAO | |
| SCHEMBL2456947 | 0.85 | DAO (0.33) | ENPP1PDE1BDAO | |
| SCHEMBL2459403 | 0.84 | TSHR (0.33) | ENPP1CCR2CCR5 | |
| SCHEMBL2454918 | 0.84 | PDE1B (0.34) | PDE1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011114148-A1 | 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2011-09-22 | — | — | WO | claimed |
| WO-2011114148-A1 | 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2011-09-22 | — | — | WO | disclosed |