Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 3/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20695147 | 0.88 | FASN (0.42) | FASNMGLLCECR2HDAC1CDK4 | |
| SCHEMBL20695408 | 0.86 | APP (0.43) | FASNAPPMGLLKCNH2KDM1A | |
| SCHEMBL20695418 | 0.86 | MGLL (0.40) | FASNCYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL20695434 | 0.84 | FASN (0.43) | FASNCYP2C19CYP2C9CYP3A4MGLL | |
| SCHEMBL20695406 | 0.84 | ENPP2 (0.44) | FASNCYP3A4MGLLHRH3 | |
| SCHEMBL20695167 | 0.82 | MGLL (0.39) | FASNCYP3A4MGLLPDE3ANAMPT | |
| SCHEMBL20695423 | 0.82 | MGLL (0.41) | FASNCYP3A4MGLLNAMPT | |
| SCHEMBL20695461 | 0.81 | TTR (0.44) | MGLLCDK4CCND1NAMPT | |
| SCHEMBL20695189 | 0.79 | PKM (0.43) | CECR2CDK4CCND1KDM1A | |
| SCHEMBL20695365 | 0.79 | FASN (0.44) | FASNMGLL |
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-3438109-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2019-02-06 | — | — | EP | disclosed |