Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | MLYCD | O95822 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL19041115 | 0.94 | CA12 (0.39) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19040973 | 0.92 | MLYCD (0.38) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19041269 | 0.92 | MLYCD (0.38) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19040970 | 0.89 | MLYCD (0.37) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19041268 | 0.89 | CA12 (0.38) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19803797 | 0.89 | MLYCD (0.37) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19041119 | 0.89 | CA12 (0.40) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19028025 | 0.88 | ALDH1A1 (0.39) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19028024 | 0.88 | ALDH1A1 (0.39) | CES1CA12CA1CA2CA9 | |
| SCHEMBL19040969 | 0.88 | ALDH1A1 (0.39) | CES1CA12CA1CA2CA9 |
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-2017106930-A1 | COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2017-06-29 | — | — | WO | disclosed |