Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | PLK4 | O00444 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | FLT4 | P35916 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | CLK2 | P49760 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.47 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4872056 | 0.84 | CYP1A2 (0.55) | CYP1A2GSK3BLOXL2KDM4ENAPRT | |
| SCHEMBL5236870 | 0.80 | LOXL2 (0.45) | CYP1A2PLK4CHEK1PDPK1PRKD3 | |
| SCHEMBL5238496 | 0.80 | LOXL2 (0.45) | CYP1A2PLK4CHEK1PDPK1PRKD3 | |
| SCHEMBL5233929 | 0.79 | CYP1A2 (0.50) | CYP1A2KDRLOXL2SMN1; SMN2MAPK9 | |
| SCHEMBL5238508 | 0.78 | CYP1A2 (0.49) | CYP1A2KDRLOXL2SMN1; SMN2NPC1 | |
| SCHEMBL5240712 | 0.78 | CYP1A2 (0.49) | CYP1A2LOXL2MAPK9RAB9AFAAH | |
| SCHEMBL29987166 | 0.77 | CYP1A2 (0.61) | CYP1A2LOXL2KDM4ESMN1; SMN2CYP2C19 | |
| SCHEMBL5239658 | 0.77 | CYP1A2 (0.61) | CYP1A2LOXL2KDM4ESMN1; SMN2CYP2C19 | |
| SCHEMBL5233274 | 0.77 | CYP1A2 (0.55) | CYP1A2LOXL2KDM4ENAPRTCYP3A4 | |
| SCHEMBL5231886 | 0.77 | MGAM (0.53) | CYP1A2LOXL2KDM4ESMN1; SMN2CYP3A4 |
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-1397364-B1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | LILLY CO ELI (US) | 2007-07-25 | — | — | EP | disclosed |