Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.49 |
| ▸ | CA2 | P00918 | 6/20 | 0.49 |
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30773715 | 0.88 | DRD2 (0.52) | CA1CA2CA12CA9SCN9A | |
| SCHEMBL454460 | 0.84 | CA12 (0.46) | CA1CA2CA12CA9SCN9A | |
| SCHEMBL24191753 | 0.83 | CA12 (0.55) | CA1CA2CA12CA9SCN9A | |
| SCHEMBL15869790 | 0.83 | ALDH1A1 (0.55) | CA1CA2CA12CA9SCN9A | |
| SCHEMBL30151772 | 0.82 | SCN9A (0.59) | CA1CA2CA12CA9SCN9A | |
| SCHEMBL12603045 | 0.82 | ALDH1A1 (0.56) | CA1CA2CA12CA9DRD2 | |
| SCHEMBL18747450 | 0.81 | CA1 (0.51) | CA1CA2CA12CA9SCN9A | |
| SCHEMBL30395350 | 0.81 | CA1 (0.51) | CA1CA2CA12CA9SCN9A | |
| SCHEMBL453828 | 0.81 | CA12 (0.47) | CA1CA2CA12CA9SCN9A | |
| SCHEMBL27758838 | 0.81 | CA12 (0.49) | CA1CA2CA12CA9DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3251678-B1 | BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS | ANACOR PHARMACEUTICALS INC (US) | 2021-10-20 | — | — | EP | disclosed |