Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5601022 | 0.88 | LMNA (0.36) | CHRNB2CHRNA4TRPM5LMNAALDH1A1 | |
| SCHEMBL5599079 | 0.85 | KMT2A (0.42) | CHRNB2CHRNA4LMNAMAPK1MEN1 | |
| SCHEMBL5601407 | 0.75 | MEN1 (0.44) | CHRNB2CHRNA4LMNAMAPK1MEN1 | |
| SCHEMBL5600396 | 0.74 | POLB (0.40) | LMNAALDH1A1POLBMEN1KMT2A | |
| SCHEMBL1008065 | 0.73 | CA2 (0.56) | LMNAALDH1A1POLBMAPK1MEN1 | |
| SCHEMBL5599736 | 0.72 | L3MBTL1 (0.35) | CHRNB2CHRNA4KMT2APDE4DMAPT | |
| Bromide SCHEMBL2192386 | 0.72 | CA2 (0.54) | LMNAALDH1A1POLBMAPK1MEN1 | |
| SCHEMBL5599937 | 0.70 | CHRNB2 (0.35) | CHRNB2CHRNA4LMNASMN1; SMN2HTT | |
| SCHEMBL6672328 | 0.70 | TRPM5 (0.32) | CHRNB2CHRNA4TRPM5LMNAMEN1 | |
| SCHEMBL6649371 | 0.69 | HTR1A (0.32) | CHRNB2CHRNA4TRPM5LMNA |
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-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-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 |