Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 4/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL5599334 | 0.78 | ADRB2 (0.35) | — | |
| SCHEMBL7755878 | 0.77 | LTA4H (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5601407 | 0.77 | MEN1 (0.44) | LTA4HLMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL21000906 | 0.74 | LTA4H (0.47) | CYP2D6LTA4HLMNASMN1; SMN2MAPK1 | |
| SCHEMBL6654256 | 0.69 | MEN1 (0.33) | MEN1KMT2A | |
| SCHEMBL16877234 | 0.68 | RAB9A (0.41) | CYP19A1KCNH2SMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL332470 | 0.68 | DRD4 (0.40) | CYP19A1KCNH2HRH3KMT2AL3MBTL1 | |
| SCHEMBL7757122 | 0.67 | KDM5A (0.43) | CYP19A1LMNAKCNH2SMN1; SMN2KMT2A | |
| SCHEMBL5599079 | 0.65 | KMT2A (0.42) | LTA4HLMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL5599111 | 0.65 | GAA (0.38) | LTA4HLMNAMEN1KMT2A |
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 |