Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL16307847 | 0.75 | CA2 (0.64) | CA2CA1CA9CA12ABCB1 | |
| SCHEMBL26457815 | 0.75 | CA2 (0.64) | CA2CA1CA9CA12ABCB1 | |
| SCHEMBL10883648 | 0.75 | CA2 (0.64) | CA2CA1CA9CA12ABCB1 | |
| SCHEMBL1847432 | 0.75 | CA2 (0.64) | CA2CA1CA9CA12ABCB1 | |
| SCHEMBL14441192 | 0.75 | CA2 (0.64) | CA2CA1CA9CA12ABCB1 | |
| SCHEMBL27174720 | 0.75 | CA2 (0.64) | CA2CA1CA9CA12ABCB1 | |
| SCHEMBL13954220 | 0.72 | CA1 (0.32) | CA2CA1CA9 | |
| SCHEMBL23982471 | 0.70 | CA1 (0.35) | CA2CA1CA9 | |
| SCHEMBL19418533 | 0.70 | CA1 (0.35) | CA2CA1CA9 | |
| SCHEMBL20938260 | 0.70 | CA1 (0.35) | CA2CA1CA9 |
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-2018133854-A1 | ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-07-26 | — | — | WO | disclosed |