Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 4/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18897366 | 0.84 | DRD2 (0.53) | AKT1OPRM1ALDH1A1DRD2 | |
| SCHEMBL28173281 | 0.83 | AKT1 (0.44) | AKT1OPRM1HDAC1MMEALDH1A1 | |
| SCHEMBL3032228 | 0.81 | AKR1C1 (0.47) | AKT1OPRM1HDAC1MME | |
| Hydrochloric Acid SCHEMBL28173275 | 0.81 | AKT1 (0.43) | AKT1OPRM1HDAC1MMEALDH1A1 | |
| SCHEMBL30711945 | 0.80 | AKT1 (0.45) | AKT1OPRM1HDAC1MMEALDH1A1 | |
| Chloromethane SCHEMBL25296246 | 0.77 | OPRM1 (0.46) | AKT1OPRM1HDAC1MME | |
| SCHEMBL10112796 | 0.76 | OPRM1 (0.51) | AKT1OPRM1HDAC1 | |
| Hydrochloric Acid SCHEMBL23535437 | 0.75 | OPRM1 (0.50) | AKT1OPRM1HDAC1 | |
| SCHEMBL11220261 | 0.73 | OPRM1 (0.74) | OPRM1 | |
| SCHEMBL578373 | 0.70 | DRD2 (0.66) | OPRM1MMEDRD2 |
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-9662323-B2 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | CHIESI FARMACEUTICI S.P.A. (IT) | 2017-05-30 | — | — | US | disclosed |