Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GGT1 | P19440 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998103 | 0.96 | PTGS2 (0.52) | PTGS2KDM4EALDH1A1ESR1ITGB3 | |
| SCHEMBL6249980 | 0.88 | PTGS2 (0.52) | PTGS2KDM4EALDH1A1ESR1ITGB3 | |
| SCHEMBL6248968 | 0.86 | PTGS2 (0.52) | PTGS2 | |
| SCHEMBL6535015 | 0.85 | PTGS2 (0.53) | PTGS2 | |
| SCHEMBL6534976 | 0.85 | PTGS2 (0.53) | PTGS2 | |
| SCHEMBL7998140 | 0.85 | PTGS2 (0.51) | PTGS2KDM4EALDH1A1ESR1ITGB3 | |
| SCHEMBL6247831 | 0.85 | PTGS2 (0.49) | PTGS2KDM4EALDH1A1ESR1ITGB3 | |
| SCHEMBL6248483 | 0.81 | PTGS2 (0.48) | PTGS2KDM4EALDH1A1ESR1ITGB3 | |
| SCHEMBL6535193 | 0.78 | PTGS2 (0.49) | PTGS2KDM4EALDH1A1ESR1ITGB3 | |
| SCHEMBL6534984 | 0.77 | PTGS2 (0.43) | PTGS2KDM4EALDH1A1ESR1ITGB3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |