Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15168389 | 0.81 | APLNR (0.33) | CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL19346422 | 0.81 | APLNR (0.33) | CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL22600547 | 0.76 | CYP3A4 (0.34) | CYP3A4TDP1ALDH1A1TSHRPOLB | |
| SCHEMBL1049862 | 0.76 | CYP3A4 (0.35) | CYP3A4TDP1ALDH1A1TSHRPOLB | |
| SCHEMBL12825541 | 0.74 | CD44 (0.48) | CYP3A4TDP1ALDH1A1TSHRCASP1 | |
| SCHEMBL15684370 | 0.74 | ALDH1A1 (0.45) | CYP3A4TDP1ALDH1A1TSHRPOLB | |
| SCHEMBL20216099 | 0.73 | APLNR (0.37) | CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL21636879 | 0.71 | — | — | |
| SCHEMBL16845221 | 0.71 | — | — | |
| SCHEMBL21297953 | 0.69 | — | — |
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-3193384-B1 | ORGANIC LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO LTD (KR) | 2021-04-28 | — | — | EP | disclosed |