Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.41 |
| ▸ | MMP9 | P14780 | 6/20 | 0.41 |
| ▸ | MMP3 | P08254 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 4/20 | 0.41 |
| ▸ | GHSR | Q92847 | 3/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21034984 | 1.00 | CA12 (0.48) | CA12CA2CA9CA1AKR1C3 | |
| SCHEMBL21035523 | 0.95 | AKR1C3 (0.43) | CA12CA2CA9CA1AKR1C3 | |
| SCHEMBL21034977 | 0.91 | CA12 (0.46) | CA12CA2CA9CA1MMP9 | |
| SCHEMBL21035352 | 0.91 | CA12 (0.46) | CA12CA2CA9CA1MMP9 | |
| SCHEMBL21035314 | 0.89 | HTR1A (0.44) | AKR1C3MMP9MMP3MMP1ADAM17 | |
| SCHEMBL21035399 | 0.89 | HTR1A (0.44) | AKR1C3MMP9MMP3MMP1ADAM17 | |
| SCHEMBL21035657 | 0.89 | MMP9 (0.43) | CA12CA2CA9CA1AKR1C3 | |
| SCHEMBL21034975 | 0.89 | MMP9 (0.43) | CA12CA2CA9CA1AKR1C3 | |
| SCHEMBL21034980 | 0.87 | GHSR (0.43) | CA12CA2CA9CA1AKR1C3 | |
| SCHEMBL21035522 | 0.86 | MMP1 (0.43) | CA12CA2CA9CA1AKR1C3 |
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-2019104011-A1 | CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE | BIOMARIN PHARMACEUTICAL INC. (US) | 2019-05-31 | — | — | WO | disclosed |