Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11368551 | 0.97 | TSHR (0.41) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL7983058 | 0.92 | — | — | |
| SCHEMBL21373708 | 0.87 | — | — | |
| SCHEMBL21373707 | 0.87 | — | — | |
| SCHEMBL6718168 | 0.87 | TSHR (0.46) | TSHRALDH1A1CA2 | |
| Boric Acid SCHEMBL27917268 | 0.87 | TSHR (0.35) | TSHRALDH1A1 | |
| SCHEMBL27999858 | 0.85 | TSHR (0.34) | TSHR | |
| SCHEMBL30818337 | 0.83 | LMNA (0.46) | TSHR | |
| SCHEMBL11196922 | 0.82 | TSHR (0.31) | TSHR | |
| SCHEMBL13890633 | 0.82 | TSHR (0.36) | TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112210549-B | Nitrilase mutant protein and application thereof in catalytic synthesis of (R) -3-substituted-4-cyanobutyric acid compounds | 中国科学院天津工业生物技术研究所 | 2022-06-10 | — | — | CN | disclosed |
| CN-112210549-A | Nitrilase mutant protein and application thereof in catalytic synthesis of (R) -3-substituted-4-cyanobutyric acid compounds | 中国科学院天津工业生物技术研究所 | 2021-01-12 | — | — | CN | disclosed |