Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.32 |
| ▸ | CA2 | P00918 | 5/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4754123 | 0.85 | CA1 (0.33) | CA1CA2HPGDCA12CA9 | |
| Methoxymethane SCHEMBL6807715 | 0.81 | CA1 (0.36) | CA1CA2CA9 | |
| SCHEMBL10284634 | 0.81 | CA1 (0.36) | CA1CA2CA12CA9 | |
| Water SCHEMBL8447847 | 0.78 | CA1 (0.35) | CA1CA2CA12 | |
| SCHEMBL3325276 | 0.76 | TSHR (0.43) | CA1CA2CA12CA9ALDH1A1 | |
| Water SCHEMBL4123228 | 0.75 | TSHR (0.41) | CA1CA2CA12CA9ALDH1A1 | |
| Tetrylammonium SCHEMBL9004237 | 0.71 | TSHR (0.47) | ALDH1A1LMNAGAA | |
| Ethylamine SCHEMBL10687658 | 0.70 | — | — | |
| Hydrogen Sulfide SCHEMBL28792099 | 0.69 | ALDH1A1 (0.50) | CA1CA2CA9ALDH1A1GAA | |
| Hydrogen Sulfide SCHEMBL28792101 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008157330-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |