Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL14953218 | 1.00 | CA1 (0.32) | CA1CA9CA2CA4ACVRL1 | |
| SCHEMBL14953219 | 1.00 | CA1 (0.32) | CA1CA9CA2CA4ACVRL1 | |
| SCHEMBL16218840 | 1.00 | CA1 (0.32) | CA1CA9CA2CA4ACVRL1 | |
| SCHEMBL14959174 | 0.82 | CA1 (0.43) | CA1CA9CA2CA4ACVRL1 | |
| SCHEMBL14953023 | 0.80 | NEU4 (0.31) | — | |
| SCHEMBL19139485 | 0.80 | NEU4 (0.31) | — | |
| SCHEMBL14953022 | 0.80 | NEU4 (0.31) | — | |
| SCHEMBL14953024 | 0.80 | NEU4 (0.31) | — | |
| SCHEMBL14953025 | 0.80 | NEU4 (0.31) | — | |
| SCHEMBL16221806 | 0.80 | — | — |
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-2780336-A1 | STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN | Institut Pasteur (FR) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013072896-A1 | STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN | INSTITUT PASTEUR (FR) | 2013-05-23 | — | — | WO | disclosed |