Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 9/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 3/20 | 0.34 |
| ▸ | USP7 | Q93009 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28597590 | 0.82 | KCNH2 (0.36) | KCNH2HRH1CYP2D6 | |
| SCHEMBL28591605 | 0.81 | KCNH2 (0.36) | PIK3CAKCNH2HRH1CYP2D6PIK3R1 | |
| SCHEMBL28972959 | 0.77 | KCNH2 (0.36) | KCNH2HRH1CYP2D6 | |
| SCHEMBL4893967 | 0.72 | PIK3CA (0.37) | PIK3CAKCNH2HRH1CYP3A4MTOR | |
| SCHEMBL190232 | 0.72 | PIK3CA (0.63) | PIK3CAPIK3R1MTOR | |
| SCHEMBL16163192 | 0.70 | PIK3CA (0.53) | PIK3CAKCNH2PIK3R1MTOR | |
| SCHEMBL17822128 | 0.69 | ALDH1A1 (0.36) | KCNH2HRH1CYP2D6CYP3A4USP7 | |
| SCHEMBL17366063 | 0.69 | PIK3CA (0.39) | PIK3CAKCNH2PIK3R1MTORMCHR1 | |
| SCHEMBL56619 | 0.69 | PIK3CA (0.60) | PIK3CAPIK3R1MTOR | |
| SCHEMBL2575641 | 0.69 | PIK3CA (0.43) | PIK3CAKCNH2HRH1CYP2D6PIK3R1 |
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-2041139-B1 | PHARMACEUTICAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2011-11-09 | — | — | EP | disclosed |