Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3713151 | 0.80 | MAPK10 (0.48) | CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL13188252 | 0.80 | FFAR1 (0.41) | GRM5FFAR1 | |
| SCHEMBL3713900 | 0.78 | GRM5 (0.40) | GRM5FFAR1CYP2A6CYP11B1CYP2D6 | |
| SCHEMBL3709521 | 0.77 | CYP19A1 (0.44) | GRM5FFAR1CYP11B2CYP11B1AAK1 | |
| SCHEMBL2431769 | 0.75 | CHRNB2 (0.51) | GRM5CYP11B2CYP11B1CYP1A2CYP17A1 | |
| SCHEMBL3714490 | 0.74 | HRH3 (0.47) | — | |
| SCHEMBL13907278 | 0.72 | CYP2A6 (0.62) | GRM5FFAR1CYP2A6CYP2D6CYP1A2 | |
| SCHEMBL4750576 | 0.71 | CYP2A6 (0.53) | GRM5FFAR1CYP2A6CYP2D6CYP1A2 | |
| SCHEMBL3721286 | 0.70 | FFAR1 (0.39) | GRM5FFAR1CYP11B1 | |
| SCHEMBL31673242 | 0.69 | CYP2A6 (0.58) | GRM5FFAR1CYP2A6CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |