Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28322523 | 0.79 | ADORA2A (0.50) | ADORA2AADORA1AURKAPARP1PADI4 | |
| SCHEMBL6246075 | 0.77 | MAPK14 (0.66) | ADORA2AADORA1AURKAPARP1PADI4 | |
| SCHEMBL858414 | 0.76 | IMPDH2 (0.50) | ADORA2AADORA1AURKAPARP1PADI4 | |
| SCHEMBL4411780 | 0.76 | ADORA2A (0.50) | ADORA2AADORA1AURKAPARP1PADI4 | |
| SCHEMBL1777845 | 0.75 | ADORA2A (0.50) | ADORA2AADORA1AURKAPARP1KMT2A | |
| SCHEMBL29951060 | 0.75 | ESR1 (0.58) | KMT2AALDH1A1RAB9A | |
| SCHEMBL5419384 | 0.75 | ESR1 (0.58) | KMT2AALDH1A1RAB9A | |
| SCHEMBL1780573 | 0.75 | MAPK13 (0.59) | ADORA2AADORA1AURKAPARP1PADI4 | |
| SCHEMBL16294674 | 0.74 | ACHE (0.47) | AURKAPARP1PADI4ALDH1A1RAB9A | |
| SCHEMBL16294882 | 0.74 | MAP2 (0.58) | AURKAPARP1PADI4ALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |