Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20407394 | 0.82 | CYP2A6 (0.36) | ALDH1A1TDP1RAF1 | |
| SCHEMBL23380015 | 0.81 | KEAP1 (0.37) | KEAP1NFE2L2HTR6HPGDMAPT | |
| SCHEMBL24385112 | 0.81 | CYP1A2 (0.31) | — | |
| SCHEMBL16479261 | 0.79 | CXCR5 (0.37) | KEAP1NFE2L2HTR6HPGDMAPT | |
| SCHEMBL25957148 | 0.77 | MMP1 (0.33) | — | |
| SCHEMBL19954273 | 0.77 | ALDH1A1 (0.42) | KEAP1HPGDMAPTKDM4EALDH1A1 | |
| SCHEMBL24703873 | 0.75 | KDM4E (0.34) | HPGDMAPTHTTKDM4EUSP2 | |
| SCHEMBL23335666 | 0.74 | TRPA1 (0.43) | HPGDMAPTKDM4EALDH1A1POLB | |
| SCHEMBL14279775 | 0.74 | NPSR1 (0.40) | HPGDALDH1A1NPSR1TDP1 | |
| SCHEMBL13944059 | 0.74 | CYP1A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3345904-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Chiesi Farmaceutici S.p.a. (IT) | 2018-07-11 | — | — | EP | disclosed |