Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4837576 | 0.74 | CA12 (0.52) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL2356791 | 0.72 | TSHR (0.48) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL2491743 | 0.72 | TSHR (0.48) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL282713 | 0.72 | CA12 (0.50) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL11683810 | 0.72 | CA12 (0.50) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL5272974 | 0.72 | TSHR (0.48) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL9205631 | 0.72 | CA12 (0.45) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL2988169 | 0.70 | CA12 (0.44) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL10508956 | 0.70 | CA12 (0.48) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL6734130 | 0.70 | CA12 (0.48) | TSHRCA12CA1CA2CA9 |
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-1996000733-A1 | DIPHOSPHATE OR TRIPHOSPHATE NON-HYDROLYSABLE STABLE ANALOGUES AND METHODS FOR THEIR PREPARATION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1996-01-11 | — | — | WO | disclosed |