Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL21160166 | 0.94 | TSHR (0.36) | TSHRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL21160151 | 0.82 | MEN1 (0.36) | TSHRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL22056878 | 0.81 | ADORA2A (0.38) | TSHRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL24469345 | 0.81 | MAPT (0.32) | TSHRMAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL21160265 | 0.81 | ALDH1A1 (0.36) | TSHRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL21159674 | 0.81 | BACE1 (0.39) | TSHRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL21159906 | 0.79 | BACE1 (0.40) | TSHRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL21131514 | 0.79 | MAPT (0.45) | TSHRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL30808406 | 0.79 | MAPT (0.45) | TSHRADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL22639497 | 0.78 | MAPT (0.44) | TSHRADORA3ADORA2AADORA2BADORA1 |
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-3372593-B1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-12-23 | — | — | EP | disclosed |