Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL24521040 | 0.92 | MET (0.34) | ADORA2AADORA1EGFRTSHRTDP1 | |
| SCHEMBL24521101 | 0.92 | MEN1 (0.39) | ADORA2AADORA1EGFRACHETDP1 | |
| SCHEMBL24521004 | 0.90 | CYP1A2 (0.38) | TSHRSQORKDM4EALDH1A1TP53 | |
| SCHEMBL24521105 | 0.90 | MEN1 (0.39) | ADORA2AADORA1EGFRACHETDP1 | |
| SCHEMBL24520922 | 0.89 | ALDH1A1 (0.36) | ADORA2AADORA1EGFRACHEBCHE | |
| SCHEMBL24521037 | 0.88 | MET (0.36) | ADORA2AADORA1EGFRACHEBCHE | |
| SCHEMBL24521247 | 0.88 | ALDH1A1 (0.39) | ADORA2AADORA1EGFRACHEBCHE | |
| SCHEMBL24521206 | 0.85 | SMN1; SMN2 (0.35) | TSHRADORA3TDP1KDM4EALDH1A1 | |
| SCHEMBL24521134 | 0.84 | KCNH2 (0.41) | EGFRTSHRSQORL3MBTL1KDM4E | |
| SCHEMBL26445054 | 0.83 | ADORA2A (0.40) | ADORA2AADORA1TSHRADORA3ADORA2B |
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-4015515-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LT Materials Co., Ltd. (KR) | 2022-06-22 | — | — | EP | disclosed |