Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Calcobutrol SCHEMBL22763151 | 1.00 | SLC6A9 (0.43) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL12671512 | 1.00 | SLC6A9 (0.43) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| Calcobutrol SCHEMBL1875231 | 1.00 | SLC6A9 (0.43) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL23802704 | 1.00 | SLC6A9 (0.43) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| Calcobutrol SCHEMBL16479551 | 1.00 | SLC6A9 (0.43) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL23802703 | 1.00 | SLC6A9 (0.43) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| Calcobutrol SCHEMBL10024738 | 1.00 | SLC6A9 (0.43) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| Calcobutrol SCHEMBL20540234 | 1.00 | SLC6A9 (0.43) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| Calcobutrol SCHEMBL21618318 | 0.98 | SLC6A9 (0.42) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 | |
| Calcobutrol SCHEMBL14834269 | 0.98 | SLC6A9 (0.42) | SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4077284-A1 | NOVEL MANUFACTURING PROCESS FOR GADOLINIUM COMPLEXES | GE Healthcare AS (NO) | 2022-10-26 | — | — | EP | disclosed |
| CN-114845999-A | Novel method for producing gadolinium complex | 通用电气医疗集团股份有限公司 | 2022-08-02 | — | — | CN | disclosed |