Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP24A1 | Q07973 | 3/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22844133 | 1.00 | CA12 (0.39) | CA12CA9CA1ALDH1A1CYP3A4 | |
| SCHEMBL3912342 | 0.91 | CA9 (0.40) | CA12CA9CA1ALDH1A1CYP3A4 | |
| SCHEMBL26963237 | 0.91 | CA9 (0.40) | CA12CA9CA1ALDH1A1CYP3A4 | |
| SCHEMBL8143786 | 0.88 | CA12 (0.41) | CA12CA9CA1ALDH1A1CYP3A4 | |
| SCHEMBL9146743 | 0.88 | CA12 (0.41) | CA12CA9CA1ALDH1A1CYP3A4 | |
| SCHEMBL4198577 | 0.88 | CA12 (0.44) | CA12CA9ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL10345660 | 0.88 | CA12 (0.41) | CA12CA9CA1ALDH1A1CYP3A4 | |
| SCHEMBL4198584 | 0.88 | CA12 (0.44) | CA12CA9ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL8984218 | 0.87 | CA12 (0.47) | CA12CA9CA1ALDH1A1CYP3A4 | |
| SCHEMBL29084825 | 0.87 | ALDH1A1 (0.38) | CA12CA9CA1ALDH1A1CYP3A4 |
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-2020260252-A1 | NEW MACROCYCLIC COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-12-30 | — | — | WO | disclosed |