Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22082551 | 0.92 | CA12 (0.38) | CA12CA1CA2CA4CA9 | |
| SCHEMBL18202818 | 0.82 | ALOX15 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL17017116 | 0.75 | KCNH2 (0.34) | CA12CA1CA9 | |
| SCHEMBL714846 | 0.74 | NFKB1 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL16403647 | 0.74 | NFKB1 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL9753489 | 0.74 | CA12 (0.38) | CA12CA1CA2CA4CA9 | |
| SCHEMBL18460295 | 0.73 | — | — | |
| SCHEMBL3093931 | 0.72 | ALDH1A1 (0.33) | CA12CA1CA2CA4CA9 | |
| SCHEMBL459799 | 0.72 | KCNH2 (0.35) | CA12CA1CA9 | |
| SCHEMBL13837013 | 0.72 | CA12 (0.36) | CA12CA1CA2CA4CA9 |
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-2015095406-A1 | MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF | THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-06-25 | — | — | WO | disclosed |