Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.65 |
| ▸ | TLR2 | O60603 | 2/20 | 0.65 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.45 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.45 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30801508 | 0.85 | TLR4 (0.67) | TLR4TLR2LTA4HAHRLCK | |
| SCHEMBL7541558 | 0.84 | TLR4 (0.61) | TLR4TLR2LTA4HAHRLCK | |
| SCHEMBL22551252 | 0.83 | TLR4 (0.63) | TLR4TLR2LTA4HAHRLCK | |
| SCHEMBL7539459 | 0.83 | TLR4 (0.59) | TLR4TLR2LTA4HAHRLCK | |
| SCHEMBL22551251 | 0.83 | TLR4 (0.63) | TLR4TLR2LTA4HAHRLCK | |
| SCHEMBL22563300 | 0.83 | TLR4 (0.63) | TLR4TLR2LTA4HAHRLCK | |
| SCHEMBL3210547 | 0.81 | TLR4 (0.61) | TLR4TLR2LTA4HAHRTSHR | |
| SCHEMBL7079097 | 0.81 | TLR4 (0.62) | TLR4TLR2LTA4HAHRLCK | |
| SCHEMBL15026226 | 0.81 | TLR4 (0.62) | TLR4TLR2LTA4HAHRLCK | |
| SCHEMBL23779787 | 0.81 | TLR4 (0.58) | TLR4TLR2LTA4HAHRLCK |
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-2016100391-A1 | 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS | Prosetta Antiviral, Inc. (US) | 2016-06-23 | — | — | WO | disclosed |