Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 12/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | PREP | P48147 | 1/20 | 0.31 |
| ▸ | FAP | Q12884 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9343726 | 0.78 | CYP2D6 (0.34) | CYP2D6CYP2C9CYP2C19KMT2AERCC1 | |
| SCHEMBL9906375 | 0.78 | MMP1 (0.36) | CYP2D6CYP2C9CYP2C19KMT2AERCC1 | |
| SCHEMBL7601794 | 0.77 | CA1 (0.43) | REN | |
| SCHEMBL13967232 | 0.76 | KDM4E (0.37) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4346271 | 0.76 | CYP2C19 (0.36) | CYP2D6CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL10311712 | 0.76 | PIK3CD (0.42) | CYP2D6CYP2C9CYP2C19KMT2AERCC1 | |
| SCHEMBL15730422 | 0.74 | CYP2D6 (0.34) | CYP2D6CYP2C9CYP2C19KMT2AERCC1 | |
| SCHEMBL19364388 | 0.74 | ADRB2 (0.35) | CYP2D6CYP2C9CYP2C19KMT2AERCC1 | |
| SCHEMBL17830452 | 0.74 | TSHR (0.31) | ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL1097195 | 0.72 | NOS1 (0.31) | CYP2D6CYP2C9CYP2C19ALDH1A1 |
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-1958634-A2 | Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease | Speedel Experimenta AG (CH) | 2008-08-20 | — | — | EP | disclosed |