Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 7/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26373608 | 0.78 | AR (0.41) | ESR1CYP11B1CYP11B2ARAKR1C3 | |
| SCHEMBL18272234 | 0.75 | HTR2A (0.39) | KIF11CYP11B1CYP11B2AR | |
| SCHEMBL20108617 | 0.74 | CYP11B1 (0.38) | KIF11CYP11B1CYP11B2ARAKR1C3 | |
| SCHEMBL26373461 | 0.73 | ESR1 (0.41) | ESR1KIF11ARRXRARXRB | |
| SCHEMBL24513805 | 0.73 | CYP11B1 (0.39) | KIF11CYP11B1CYP11B2AR | |
| SCHEMBL20108522 | 0.72 | APP (0.34) | KIF11CYP11B1CYP11B2AKR1C3AKR1C2 | |
| SCHEMBL25844613 | 0.71 | AR (0.49) | CYP11B1CYP11B2ARAKR1C3AKR1C2 | |
| SCHEMBL12142093 | 0.71 | KIF11 (0.50) | ESR1KIF11CYP11B1CYP11B2 | |
| SCHEMBL2600031 | 0.71 | PTPN7 (0.47) | ESR1KIF11AR | |
| SCHEMBL20108386 | 0.67 | AR (0.45) | CYP11B1CYP11B2ARAKR1C3AKR1C2 |
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 |