Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.66 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.66 |
| ▸ | AURKA | O14965 | 1/20 | 0.61 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.61 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.61 |
| ▸ | RET | P07949 | 1/20 | 0.61 |
| ▸ | IGF1R | P08069 | 1/20 | 0.61 |
| ▸ | MET | P08581 | 1/20 | 0.61 |
| ▸ | PIM1 | P11309 | 1/20 | 0.61 |
| ▸ | LTK | P29376 | 1/20 | 0.61 |
| ▸ | KDR | P35968 | 1/20 | 0.61 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.61 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.61 |
| ▸ | CDK8 | P49336 | 1/20 | 0.61 |
| ▸ | CLK2 | P49760 | 1/20 | 0.61 |
| ▸ | CDK9 | P50750 | 1/20 | 0.61 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.61 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.61 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL13797837 | 0.89 | CYP1A1 (0.52) | CYP1A1CYP1A2CYP1B1AURKADAPK3 | |
| SCHEMBL4041398 | 0.85 | MAPT (0.51) | CYP1A1CYP1A2CYP1B1AURKADAPK3 | |
| SCHEMBL13797838 | 0.85 | MAPT (0.51) | CYP1A1CYP1A2CYP1B1AURKADAPK3 | |
| SCHEMBL4041393 | 0.85 | MAPT (0.51) | CYP1A1CYP1A2CYP1B1AURKADAPK3 | |
| SCHEMBL4649417 | 0.77 | CYP1B1 (0.63) | CYP1A1CYP1A2CYP1B1MAOBMAOA | |
| SCHEMBL13797834 | 0.74 | CYP1A2 (0.59) | CYP1A1CYP1A2CYP1B1AURKADAPK3 | |
| SCHEMBL11732417 | 0.73 | MAOB (1.00) | CYP1A1CYP1A2CYP1B1MAOBMAOA | |
| SCHEMBL13797823 | 0.68 | TNKS (0.62) | CYP1A1CYP1A2CYP1B1AURKADAPK3 | |
| SCHEMBL13797835 | 0.67 | RAB9A (0.63) | CYP1A1CYP1A2CYP1B1MAOBGRM4 | |
| SCHEMBL29839946 | 0.66 | MCL1 (0.53) | CYP1A2MAOBMAOAMCL1NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7547794-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-16 | — | — | US | disclosed |
| US-7547794-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-16 | — | — | US | disclosed |