Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16130441 | 0.86 | CYP2A6 (0.39) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL12825541 | 0.83 | CD44 (0.48) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL24180294 | 0.81 | CD44 (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL19121820 | 0.78 | CD44 (0.43) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL13947724 | 0.78 | CD44 (0.43) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL3363239 | 0.76 | CD44 (0.50) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL12666967 | 0.76 | CD44 (0.50) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL18967032 | 0.76 | CD44 (0.50) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL10079313 | 0.74 | ALDH1A1 (0.33) | CD44TDP1TSHRALDH1A1CYP1A2 | |
| SCHEMBL20125056 | 0.74 | TAAR1 (0.39) | CD44DPP4CYP1A2CYP2A6SMN1; SMN2 |
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-3556750-B1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME | LG CHEMICAL LTD (KR) | 2021-02-24 | — | — | EP | disclosed |