Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
| ▸ | IDO1 | P14902 | 4/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.56 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MPI | P34949 | 1/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | METAP2 | P50579 | 1/20 | 0.51 |
| ▸ | METAP1 | P53582 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28124508 | 1.00 | CYP2C19 (0.66) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL14456227 | 0.86 | CYP2C19 (0.64) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL11277500 | 0.83 | CYP2C19 (0.60) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| Quinterenol SCHEMBL11538969 | 0.80 | CYP2C19 (1.00) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL8335177 | 0.79 | HSP90AA1 (0.57) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL24716144 | 0.78 | KDM4E (0.61) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL13797358 | 0.78 | CYP2C19 (0.62) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL4626334 | 0.77 | CYP2C19 (0.79) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL5595468 | 0.76 | KDM4E (0.54) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL1772088 | 0.75 | HSP90AA1 (0.53) | CYP2C19HIF1AIDO1HSP90AA1HSP90AB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107690432-A | Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity | 奇斯药制品公司 | 2018-02-13 | — | — | CN | disclosed |
| CN-107207473-A | Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity | 奇斯药制品公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-104854105-B | Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity | 奇斯药制品公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-104822678-B | Compound with muscarinic receptor antagonist and beta 2-adrenergic receptor agonists activity | 奇斯药制品公司 | 2017-03-08 | — | — | CN | disclosed |