Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MGMT | P16455 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4051900 | 0.83 | ADORA2A (0.48) | KEAP1NFE2L2ADORA2AADORA1ALDH1A1 | |
| SCHEMBL3128908 | 0.75 | CYP2C19 (0.47) | KEAP1NFE2L2CA12CA2CYP2C19 | |
| SCHEMBL7484135 | 0.73 | KEAP1 (0.51) | KEAP1NFE2L2CYP2C19LMNAMAPT | |
| SCHEMBL17585445 | 0.73 | MAPT (0.46) | KEAP1NFE2L2CYP2C19LMNAMAPT | |
| SCHEMBL4322696 | 0.68 | KEAP1 (0.53) | KEAP1NFE2L2CYP2C19LMNAMAPT | |
| SCHEMBL2492570 | 0.65 | LMNA (0.44) | KEAP1NFE2L2CA12CA2LMNA | |
| SCHEMBL4129860 | 0.65 | CYP2C19 (0.61) | KEAP1NFE2L2CYP2C19P2RY12HSP90AA1 | |
| SCHEMBL4877590 | 0.64 | CYP2C19 (0.51) | KEAP1NFE2L2CA12CA2CYP2C19 | |
| SCHEMBL7151666 | 0.64 | ADORA2A (0.51) | ADORA2AADORA1 | |
| SCHEMBL7410681 | 0.64 | KEAP1 (0.41) | KEAP1NFE2L2CYP2C19LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2321321-B1 | TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS | VERNALIS R&D LTD (GB) | 2012-02-08 | — | — | EP | disclosed |