Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21481606 | 1.00 | ADORA2A (0.52) | ADORA2AADORA1MAPTALDH1A1HPGD | |
| SCHEMBL21481670 | 0.87 | KDM4E (0.46) | ADORA2AADORA1MAPTALDH1A1HPGD | |
| SCHEMBL31194508 | 0.85 | ALDH1A1 (0.54) | ADORA2AADORA1MAPTALDH1A1HPGD | |
| SCHEMBL2786472 | 0.85 | ALDH1A1 (0.54) | ADORA2AADORA1MAPTALDH1A1HPGD | |
| SCHEMBL23260998 | 0.84 | ADORA2A (0.51) | ADORA2AADORA1MAPTALDH1A1HPGD | |
| SCHEMBL31337397 | 0.84 | CYP3A4 (0.46) | ADORA2AADORA1PRMT5CYP3A4CYP2D6 | |
| SCHEMBL21485535 | 0.83 | CYP3A4 (0.66) | ADORA2AADORA1ALDH1A1MAPK1TDP1 | |
| SCHEMBL21482042 | 0.83 | ADORA2A (0.44) | ADORA2AADORA1MAPTCYP3A4CYP2D6 | |
| SCHEMBL21462235 | 0.82 | CYP3A4 (0.64) | MAPTALDH1A1KDM4EMAPK1LMNA | |
| SCHEMBL21482055 | 0.82 | NR3C1 (0.46) | ADORA2AADORA1MAPTALDH1A1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025001407-A1 | POLYARYL-CONTAINING MACROCYCLIC COMPOUNDS AND USES THEREOF | 浙江养生堂天然药物研究所有限公司 | 2025-01-02 | — | — | WO | disclosed |