Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL118870 | 0.83 | LMNA (0.56) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL28797321 | 0.78 | CYP2A6 (0.49) | CYP1A2CYP3A4CYP2C19TP53ALDH1A1 | |
| SCHEMBL266604 | 0.78 | ADORA3 (0.58) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL15349744 | 0.77 | ADORA3 (0.51) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL10651238 | 0.75 | LMNA (0.71) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL2649753 | 0.75 | KMT2A (0.59) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL9367625 | 0.75 | CYP2A6 (0.42) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL6240470 | 0.74 | KMT2A (0.56) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL9550366 | 0.74 | CYP2A6 (0.52) | ADORA3ADORA2AADORA1KMT2AALDH1A1 | |
| SCHEMBL7709279 | 0.74 | KMT2A (0.72) | ADORA3CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111808056-B | Dopamine D 2 Receptor selective agonists and their use in the treatment of disease | 中国科学院分子细胞科学卓越创新中心 | 2022-08-23 | — | — | CN | disclosed |