Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3711552 | 0.90 | ALDH1A1 (0.46) | GRM5CYP19A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL3712323 | 0.90 | CYP19A1 (0.46) | GRM5CYP19A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL3714104 | 0.89 | ABL1 (0.41) | — | |
| SCHEMBL3713936 | 0.89 | ADORA3 (0.47) | GRM5ADORA3CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3711439 | 0.89 | ADORA1 (0.46) | GRM5CYP19A1CYP11B1CYP11B2ADORA1 | |
| SCHEMBL3715718 | 0.88 | XIAP (0.45) | GRM5ADORA3CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3710834 | 0.88 | KDM4E (0.45) | GRM5CYP19A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL3721325 | 0.88 | CYP19A1 (0.44) | GRM5CYP19A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL3714356 | 0.88 | NAMPT (0.41) | GRM5CYP19A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL3713698 | 0.88 | PTGES (0.42) | GRM5CYP19A1CYP11B1CYP11B2ALDH1A1 |
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-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |