Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10018706 | 0.80 | ACHE (0.43) | NFE2L2PTGS2PTGS1ACHE | |
| SCHEMBL20108522 | 0.79 | APP (0.34) | CYP11B1CYP11B2KIF11AKR1C3AKR1C2 | |
| SCHEMBL17943190 | 0.78 | NFE2L2 (0.42) | NFE2L2PTGS2PTGS1ACHE | |
| SCHEMBL25844613 | 0.75 | AR (0.49) | CYP11B1CYP11B2ARACHESMN1; SMN2 | |
| SCHEMBL20108430 | 0.74 | ESR1 (0.40) | CYP11B1CYP11B2ARKIF11AKR1C3 | |
| SCHEMBL24513805 | 0.73 | CYP11B1 (0.39) | CYP11B1CYP11B2ARKIF11 | |
| SCHEMBL16807819 | 0.72 | TSHR (0.48) | CYP11B1CYP11B2PTGS2PTGS1ACHE | |
| SCHEMBL20108545 | 0.71 | ESR1 (0.41) | PTGS2SMN1; SMN2ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL20108386 | 0.70 | AR (0.45) | CYP11B1CYP11B2ARSMN1; SMN2ALDH1A1 | |
| SCHEMBL18272234 | 0.70 | HTR2A (0.39) | CYP11B1CYP11B2ARKIF11SMN1; SMN2 |
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-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | disclosed |