Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB1 | P20618 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 9/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5599107 | 0.97 | CHRNB4 (0.37) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL5599117 | 0.89 | PSMB1 (0.34) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL5611378 | 0.88 | LTA4H (0.34) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL5599336 | 0.73 | PSMB1 (0.45) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL5599111 | 0.73 | GAA (0.38) | PSMB1PSMB5PSMB2LTA4H | |
| SCHEMBL25680303 | 0.65 | KCNH2 (0.56) | LTA4H | |
| SCHEMBL30628842 | 0.64 | KCNH2 (0.43) | — | |
| SCHEMBL10487323 | 0.63 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL6652803 | 0.61 | CHRNB4 (0.40) | HRH3SLC6A2SLC6A4SLC6A3CHRNB4 | |
| SCHEMBL16877094 | 0.61 | CALM1 (0.48) | LTA4H |
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-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 |
| EP-1746986-A1 | ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-31 | — | — | 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 |
| WO-2005097099-A1 | ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2005-10-20 | — | — | WO | disclosed |