Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAT1 | P18440 | 1/20 | 0.69 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.56 |
| ▸ | CISD1 | Q9NZ45 | 4/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7246589 | 1.00 | NAT1 (0.69) | NAT1PTGS2MEN1ALDH1A1GAA | |
| SCHEMBL7246592 | 1.00 | NAT1 (0.69) | NAT1PTGS2MEN1ALDH1A1GAA | |
| SCHEMBL8710470 | 0.86 | HSD17B3 (0.70) | NAT1MEN1ALDH1A1KMT2AHSD17B3 | |
| SCHEMBL8710472 | 0.86 | HSD17B3 (0.70) | NAT1MEN1ALDH1A1KMT2AHSD17B3 | |
| SCHEMBL7702501 | 0.85 | NAT1 (0.70) | NAT1PTGS2MEN1ALDH1A1GAA | |
| SCHEMBL7702499 | 0.85 | NAT1 (0.70) | NAT1PTGS2MEN1ALDH1A1GAA | |
| SCHEMBL8534268 | 0.83 | PTGS2 (0.55) | NAT1PTGS2MEN1ALDH1A1GAA | |
| SCHEMBL8534273 | 0.83 | PTGS2 (0.55) | NAT1PTGS2MEN1ALDH1A1GAA | |
| SCHEMBL6886569 | 0.82 | NAT1 (0.53) | NAT1MEN1ALDH1A1KMT2AHSD17B3 | |
| SCHEMBL8933323 | 0.81 | PTGS2 (0.56) | NAT1PTGS2MEN1ALDH1A1GAA |
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-2000032598-A9 | METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY | STRUCTURAL BIOINFORMATICS INC (US) | 2000-11-30 | — | — | WO | claimed |
| WO-2000032598-A1 | METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY | STRUCTURAL BIOINFORMATICS INC. (US) | 2000-06-08 | — | — | WO | claimed |