Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL11827589 | 0.77 | ALOX5 (0.39) | PTGS2ADORA2AADORA1TP53MAPT | |
| SCHEMBL11751925 | 0.75 | CACNA2D1 (0.47) | NPSR1PTGS2ADORA2AADORA1TP53 | |
| SCHEMBL11742591 | 0.75 | PTGES (0.42) | PTGS2TP53MAPTPTGES | |
| SCHEMBL11747090 | 0.74 | NPC1 (0.44) | NPSR1PTGS2MAPTSCN9AMAPK14 | |
| SCHEMBL11750266 | 0.74 | CACNA2D1 (0.46) | NPSR1PTGS2ADORA2AADORA1TP53 | |
| SCHEMBL11747384 | 0.73 | PRMT1 (0.36) | ADORA2AADORA1MAPTSCN9APTGES | |
| SCHEMBL11743566 | 0.73 | MCL1 (0.36) | ADORA2AADORA1TP53MAPT | |
| SCHEMBL11749370 | 0.71 | SCN9A (0.41) | NPSR1PTGS2MAPTSCN9AMAPK14 | |
| SCHEMBL11749749 | 0.71 | MAPT (0.40) | ADORA2AADORA1TP53MAPTGAA | |
| SCHEMBL12164744 | 0.71 | PTPN5 (0.50) | NPSR1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4008232-A | ANTIINFLAMMATORY | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | disclosed |
| US-3979516-A | Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines | ELI LILLY AND COMPANY (US) | 1976-09-07 | — | — | US | disclosed |
| US-3948894-A | ANTIINFLAMMATORY | ELI LILLY AND COMPANY (US) | 1976-04-06 | — | — | US | disclosed |