Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6794103 | 1.00 | EGFR (0.53) | EGFRERBB2APPATMHDAC8 | |
| SCHEMBL28989841 | 0.92 | EGFR (0.54) | EGFRERBB2APPHDAC8HDAC6 | |
| SCHEMBL28989630 | 0.88 | APP (0.50) | EGFRERBB2APPATMALDH1A1 | |
| SCHEMBL2690696 | 0.86 | HDAC8 (0.55) | EGFRERBB2ATMHDAC8HDAC6 | |
| SCHEMBL2690695 | 0.86 | HDAC8 (0.55) | EGFRERBB2ATMHDAC8HDAC6 | |
| SCHEMBL4622626 | 0.84 | APP (0.51) | APPATMALDH1A1KDM4ETDP1 | |
| SCHEMBL4622624 | 0.84 | APP (0.51) | APPATMALDH1A1KDM4ETDP1 | |
| SCHEMBL9216514 | 0.82 | TDP1 (0.57) | EGFRERBB2ATMHDAC8HDAC6 | |
| SCHEMBL9216522 | 0.82 | TDP1 (0.57) | EGFRERBB2ATMHDAC8HDAC6 | |
| SCHEMBL3940920 | 0.82 | APP (0.60) | APPATMALDH1A1KDM4ETDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6784295-B2 | CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS | SOLVIAS AG (CH) | 2004-08-31 | — | — | US | disclosed |
| EP-1132361-B1 | Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds | SOLVIAS AG (CH) | 2003-05-14 | — | — | EP | disclosed |
| EP-1132361-A1 | Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds | Solvias AG (CH) | 2001-09-12 | — | — | EP | disclosed |