Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1838370 | 0.82 | NOS2 (0.42) | NOS2CCR1KCNH2NPSR1PGK1 | |
| SCHEMBL30819694 | 0.82 | NOS2 (0.42) | NOS2CCR1KCNH2NPSR1PGK1 | |
| SCHEMBL28648289 | 0.82 | NOS2 (0.42) | NOS2CCR1KCNH2NPSR1PGK1 | |
| SCHEMBL1845293 | 0.81 | NOS2 (0.44) | NOS2KCNH2NPSR1PGK1PGK2 | |
| SCHEMBL30401571 | 0.81 | NOS2 (0.41) | NOS2NPSR1TRPV3GABRA1GABRB2 | |
| SCHEMBL1249740 | 0.81 | NOS2 (0.41) | NOS2NPSR1TRPV3GABRA1GABRB2 | |
| SCHEMBL23343777 | 0.78 | NOS2 (0.46) | NOS2CCR1KDM4EUSP2HPGD | |
| SCHEMBL8995830 | 0.78 | NOS2 (0.46) | NOS2CCR1KDM4EUSP2HPGD | |
| SCHEMBL245158 | 0.78 | CCR1 (0.55) | NOS2CCR1KCNH2NPSR1PGK1 | |
| SCHEMBL1836735 | 0.78 | CCR1 (0.35) | CCR1KCNH2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2321321-A1 | TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS | Vernalis (R&D) Limited (GB) | 2011-05-18 | — | — | EP | disclosed |
| WO-2009156737-A1 | TRIAZOLO [4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS | VERNALIS (R&D) LIMITED (GB) | 2009-12-30 | — | — | WO | disclosed |