Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.46 |
| ▸ | DHFR | P00374 | 3/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667357 | 0.87 | ALDH1A1 (0.43) | EGFRASIC3DHFRADORA2AADORA1 | |
| SCHEMBL25453062 | 0.83 | KCNH2 (0.47) | EGFRCHKAKDRTSHRMAPT | |
| SCHEMBL25453064 | 0.83 | GRIA1 (0.37) | EGFRASIC3MEN1KMT2ACYP3A4 | |
| SCHEMBL30502771 | 0.82 | EGFR (0.46) | EGFRCHKAFGFR1KDREPHB4 | |
| SCHEMBL25175471 | 0.82 | ALDH1A1 (0.47) | EGFRASIC3OPRD1KDRCYP3A4 | |
| SCHEMBL25453063 | 0.82 | EGFR (0.46) | EGFRCHKAFGFR1KDREPHB4 | |
| SCHEMBL21241166 | 0.80 | UHRF1 (0.42) | EGFRDHFRCHKAMEN1KMT2A | |
| SCHEMBL3658312 | 0.77 | ADORA2A (0.44) | ASIC3ADORA2AADORA1MEN1KMT2A | |
| SCHEMBL7236726 | 0.76 | CYP2D6 (0.41) | EGFRDHFRMEN1KMT2AFGFR1 | |
| SCHEMBL26186404 | 0.76 | OPRD1 (0.48) | ASIC3OPRD1MEN1KMT2ATSHR |
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-2023081800-A1 | ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-05-11 | — | — | WO | disclosed |