Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL24521232 | 0.83 | TDP2 (0.40) | ADORA1DHODHACHEALDH1A1MEN1 | |
| SCHEMBL24384482 | 0.76 | SMN1; SMN2 (0.39) | ADORA1ADORA2AACHEALDH1A1MEN1 | |
| SCHEMBL24521290 | 0.76 | MEN1 (0.41) | ADORA1ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL24521040 | 0.74 | MET (0.34) | ADORA1ADORA2AMETALDH1A1MEN1 | |
| SCHEMBL24521210 | 0.74 | CYP1A1 (0.38) | ADORA1ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL24102700 | 0.74 | ALDH1A1 (0.44) | ADORA1ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL24520922 | 0.73 | ALDH1A1 (0.36) | ADORA1ADORA2AMETACHEALDH1A1 | |
| SCHEMBL24521037 | 0.72 | MET (0.36) | ADORA1ADORA2AMETACHEALDH1A1 | |
| SCHEMBL21895046 | 0.71 | ALDH1A1 (0.49) | ADORA1ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL24384305 | 0.71 | SMN1; SMN2 (0.38) | ADORA1ADORA2AACHEALDH1A1MEN1 |
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 |