Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 7/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19982521 | 1.00 | TLR4 (0.41) | TLR4SLC6A2SLC6A4MAPTTP53 | |
| SCHEMBL19982560 | 0.91 | TLR4 (0.41) | TLR4SLC6A2SLC6A4MAPTTP53 | |
| SCHEMBL19982571 | 0.90 | TLR4 (0.35) | TLR4SLC6A2SLC6A4MAPTTP53 | |
| SCHEMBL19982456 | 0.87 | TLR4 (0.39) | TLR4SLC6A2SLC6A4MAPTTP53 | |
| SCHEMBL19982454 | 0.87 | TLR4 (0.39) | TLR4SLC6A2SLC6A4MAPTTP53 | |
| SCHEMBL19970477 | 0.87 | TLR4 (0.43) | TLR4SLC6A2SLC6A4MAPTTP53 | |
| SCHEMBL19982563 | 0.87 | TLR4 (0.37) | TLR4SLC6A2SLC6A4MAPTTP53 | |
| SCHEMBL19797164 | 0.86 | TLR4 (0.42) | TLR4MAPTTP53CYP2C19CYP1A2 | |
| SCHEMBL19982572 | 0.84 | TLR4 (0.34) | TLR4 | |
| SCHEMBL20111179 | 0.81 | TLR4 (0.46) | TLR4SLC6A2SLC6A4MAPTCYP2C19 |
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-3296296-A1 | CYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-03-21 | — | — | EP | disclosed |