Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | BAD | Q92934 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14539265 | 0.84 | MAPT (0.43) | NPC1RAB9AMAPT | |
| SCHEMBL14539266 | 0.80 | EGFR (0.47) | CES2CES1NPC1RAB9AMAPT | |
| SCHEMBL31301102 | 0.78 | HDAC1 (0.47) | NPC1RAB9AMAPT | |
| SCHEMBL9266647 | 0.77 | MAOA (0.49) | CES2CES1CYP1A2CYP2C19CA1 | |
| SCHEMBL29156800 | 0.74 | KMT2A (0.42) | CES2CES1CYP1A2CYP2C19CA1 | |
| SCHEMBL38650903 | 0.73 | NR3C2 (0.44) | NPC1RAB9AMAPT | |
| SCHEMBL27720360 | 0.71 | CES2 (0.52) | CES2CES1CYP1A2CYP2C19CA1 | |
| SCHEMBL27919033 | 0.71 | BCL2L1 (0.68) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL11802097 | 0.71 | CES2 (0.65) | CES2CES1CYP1A2CYP2C19CA1 | |
| SCHEMBL29083762 | 0.71 | TAS2R14 (0.49) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007057658-A1 | PALLADIUM CATALYSED HECK ARYLATION OR VINYLATION OF 1-SUBSTITUTED OLEFINS | THE UNIVERSITY OF LIVERPOOL (GB) | 2007-05-24 | — | — | WO | disclosed |