Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL20031882 | 0.94 | TACR1 (0.35) | TACR1KDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL21727967 | 0.91 | TACR1 (0.32) | SLC6A9TACR1 | |
| SCHEMBL21622739 | 0.88 | SLC6A9 (0.43) | SLC6A9TACR1HSD17B10ALDH1A1 | |
| SCHEMBL21622612 | 0.88 | SLC6A9 (0.43) | SLC6A9TACR1HSD17B10ALDH1A1 | |
| SCHEMBL21622758 | 0.84 | SLC6A9 (0.38) | SLC6A9TACR1HSD17B10ALDH1A1 | |
| SCHEMBL23642715 | 0.81 | SLC6A9 (0.38) | SLC6A9HSD17B10 | |
| SCHEMBL5434193 | 0.80 | HSD17B10 (0.47) | SLC6A9TACR1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL14470272 | 0.80 | HSD17B10 (0.47) | SLC6A9TACR1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL13569369 | 0.80 | HSD17B10 (0.47) | SLC6A9TACR1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL22331585 | 0.74 | HSD17B10 (0.41) | SLC6A9TACR1HSD17B10KDM4EALDH1A1 |
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-3519394-B1 | METHOD FOR PRODUCING THE CRYSTALLINE FORM OF MODIFICATION A OF CALCOBUTROL | Bayer Pharma AG (DE) | 2020-05-27 | — | — | EP | disclosed |
| WO-2018059914-A1 | METHOD FOR PRODUCING THE CRYSTALLINE FORM OF MODIFICATION A OF CALCOBUTROL | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-04-05 | — | — | WO | disclosed |