Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 8/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2464959 | 0.88 | ENPP1 (0.31) | ENPP1 | |
| SCHEMBL2465880 | 0.81 | MEN1 (0.30) | — | |
| SCHEMBL2455163 | 0.79 | ENPP1 (0.43) | ENPP1TSHR | |
| SCHEMBL2457421 | 0.79 | ALKBH3 (0.36) | — | |
| SCHEMBL2460223 | 0.79 | ENPP1 (0.43) | ENPP1 | |
| SCHEMBL2460016 | 0.79 | CCR2 (0.36) | ENPP1TSHR | |
| SCHEMBL2459403 | 0.78 | TSHR (0.33) | ENPP1TSHR | |
| SCHEMBL2454918 | 0.76 | PDE1B (0.34) | — | |
| SCHEMBL2454685 | 0.76 | DAO (0.36) | GRIN1GRIN2BENPP1 | |
| SCHEMBL2459348 | 0.76 | NR3C1 (0.37) | GRIN1GRIN2BCYP11B1CYP11B2TSHR |
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 |