Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 6/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 4/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5600362 | 0.77 | MPO (0.32) | ESR1 | |
| SCHEMBL16815266 | 0.70 | SLC9A1 (0.38) | NR1H3HCAR3KDM5AKDM5BESR1 | |
| SCHEMBL20742274 | 0.70 | SLC9A1 (0.38) | NR1H3HCAR3KDM5AKDM5BESR1 | |
| SCHEMBL6650020 | 0.69 | HRH3 (0.33) | KDM4E | |
| Hydrochloric Acid SCHEMBL27667130 | 0.69 | SLC9A1 (0.37) | NR1H3KDM5AKDM5BESR1ALDH1A1 | |
| SCHEMBL13500287 | 0.68 | SLC9A1 (0.39) | NR1H3HCAR3KDM5AKDM5BESR1 | |
| SCHEMBL5612102 | 0.68 | HSPA5 (0.43) | NR1H3ESR1ALDH1A1HPGD | |
| SCHEMBL6652319 | 0.66 | P2RX7 (0.38) | HCAR3KDM5AKDM5BESR1KDM4E | |
| SCHEMBL6650791 | 0.66 | P2RX7 (0.40) | KDM5AKDM5BESR1ALDH1A1 | |
| SCHEMBL16815457 | 0.66 | SLC9A1 (0.39) | HCAR3KDM5AKDM5B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1755678-A2 | ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-02-28 | — | — | EP | claimed |
| WO-2005097192-A2 | ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2005-10-20 | — | — | WO | claimed |
| EP-1103243-B1 | UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P | ESTEVE LABOR DR (ES) | 2004-01-07 | — | — | EP | claimed |
| EP-1755678-A2 | ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005097192-A2 | ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2005-10-20 | — | — | WO | disclosed |