Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB1 | P20618 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 8/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL5599453 | 0.80 | HRH3 (0.43) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL6648272 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL6650164 | 0.76 | MAPT (0.38) | HRH3CYP1A2 | |
| SCHEMBL6650689 | 0.75 | L3MBTL1 (0.40) | CYP1A2 | |
| SCHEMBL6649429 | 0.71 | KCNH2 (0.41) | HRH3 | |
| SCHEMBL8697896 | 0.67 | KMT2A (0.53) | HRH3CYP1A2CYP3A4 | |
| SCHEMBL5600030 | 0.67 | CYP3A4 (0.43) | HRH3CYP1A2CYP3A4 | |
| SCHEMBL11210727 | 0.65 | KMT2A (0.55) | — | |
| SCHEMBL823462 | 0.64 | TLR8 (0.50) | HRH3CYP1A2CYP3A4 | |
| SCHEMBL18127446 | 0.63 | SIRT2 (0.34) | HRH3 |
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-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 |