Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL20108617 | 0.79 | CYP11B1 (0.38) | KIF11AKR1C3AKR1C2CYP11B1CYP11B2 | |
| SCHEMBL20108545 | 0.78 | ESR1 (0.41) | AKR1C3AKR1C2 | |
| SCHEMBL20108430 | 0.72 | ESR1 (0.40) | KIF11AKR1C3AKR1C2CYP11B1CYP11B2 | |
| SCHEMBL10018706 | 0.69 | ACHE (0.43) | — | |
| SCHEMBL17943190 | 0.68 | NFE2L2 (0.42) | — | |
| SCHEMBL18272234 | 0.68 | HTR2A (0.39) | KIF11CYP11B1CYP11B2 | |
| SCHEMBL24513805 | 0.67 | CYP11B1 (0.39) | KIF11CYP11B1CYP11B2 | |
| SCHEMBL8015827 | 0.66 | TSHR (0.60) | KIF11 | |
| SCHEMBL14640087 | 0.66 | KIF11 (0.42) | KIF11CYP11B1CYP11B2 | |
| SCHEMBL15117064 | 0.66 | SMN1; SMN2 (0.41) | — |
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 |