Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14601506 | 0.89 | TSHR (0.56) | TSHRCA9CA12CA1CA2 | |
| SCHEMBL2101466 | 0.81 | TSHR (0.53) | TSHRCA9CA12CA1CA2 | |
| SCHEMBL10819181 | 0.81 | TSHR (0.53) | TSHRCA9CA12CA1CA2 | |
| SCHEMBL21339698 | 0.81 | TSHR (0.53) | TSHRCA9CA12CA1CA2 | |
| SCHEMBL30184333 | 0.81 | TSHR (0.53) | TSHRCA9CA12CA1CA2 | |
| SCHEMBL18490894 | 0.81 | TSHR (0.53) | TSHRCA9CA12CA1CA2 | |
| SCHEMBL26442012 | 0.81 | TSHR (0.53) | TSHRCA9CA12CA1CA2 | |
| SCHEMBL13296956 | 0.81 | TSHR (0.53) | TSHRCA9CA12CA1CA2 | |
| SCHEMBL17267013 | 0.79 | TSHR (0.39) | TSHRCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL17266923 | 0.79 | TSHR (0.39) | TSHRCHRM2CHRM1CHRM4CHRM3 |
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-2008131062-A2 | PROCESS FOR PREPARING CAPECITABINE | DR. REDDY'S LABORATORIES LTD. (IN) | 2008-10-30 | — | — | WO | disclosed |