Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3282646 | 1.00 | CYP3A4 (0.35) | CYP3A4TDP1LMNACA1CA2 | |
| SCHEMBL6791157 | 0.74 | CYP3A4 (0.31) | CYP3A4TDP1 | |
| SCHEMBL6789909 | 0.72 | KCNN4 (0.34) | CYP3A4TDP1 | |
| SCHEMBL24363332 | 0.72 | CYP3A4 (0.41) | CYP3A4TDP1ALDH1A1TSHR | |
| SCHEMBL9777482 | 0.71 | CYP3A4 (0.45) | CYP3A4TDP1LMNACA1CA2 | |
| SCHEMBL735406 | 0.68 | CYP3A4 (0.44) | CYP3A4TDP1ALDH1A1TSHR | |
| SCHEMBL6947157 | 0.67 | CA2 (0.30) | CA2 | |
| SCHEMBL4322101 | 0.67 | — | — | |
| Iodobenzene SCHEMBL27858432 | 0.67 | LMNA (0.39) | LMNACA1CA2ALDH1A1TSHR | |
| Perflexane SCHEMBL28150594 | 0.67 | TSHR (0.74) | LMNACA1CA2ALDH1A1TSHR |
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-1051374-B1 | THE USE OF COMPRESSED CARBON DIOXIDE IN CHEMICAL REACTIONS | UNIV CAMBRIDGE TECH (GB) | 2003-10-15 | — | — | EP | disclosed |