Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14166245 | 0.88 | HDAC1 (0.40) | HDAC1BRD4HRH3MEN1KMT2A | |
| SCHEMBL14166237 | 0.88 | MEN1 (0.44) | HRH3MEN1KMT2ATAAR1KDM4E | |
| SCHEMBL17074623 | 0.88 | MEN1 (0.44) | HRH3MEN1KMT2ATAAR1KDM4E | |
| SCHEMBL14166156 | 0.83 | BRD4 (0.41) | HDAC1BRD4KMT2AKDM4EALDH1A1 | |
| SCHEMBL14706817 | 0.82 | CHRM3 (0.58) | — | |
| SCHEMBL14166159 | 0.82 | HTR1A (0.31) | HDAC1BRD4KMT2AKDM4EALDH1A1 | |
| SCHEMBL17074679 | 0.81 | KDM4E (0.38) | HDAC1BRD4HRH3MEN1KMT2A | |
| SCHEMBL14241188 | 0.81 | CHRM3 (0.40) | — | |
| SCHEMBL14166623 | 0.77 | — | — | |
| SCHEMBL14241392 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2718280-B1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMA SPA (IT) | 2015-09-16 | — | — | EP | disclosed |
| EP-2718280-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Chiesi Farmaceutici S.p.A. (IT) | 2014-04-16 | — | — | EP | disclosed |
| WO-2012168359-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-12-13 | — | — | WO | disclosed |