Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL6649403 | 0.82 | KMT2A (0.39) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL6651569 | 0.81 | KMT2A (0.47) | ALDH1A1POLBKMT2ATLR8KCNH2 | |
| SCHEMBL9269515 | 0.80 | KMT2A (0.51) | ALDH1A1POLBKMT2ATLR8DRD2 | |
| SCHEMBL6115119 | 0.78 | ALDH1A1 (0.69) | ALDH1A1POLBKMT2ATLR8KCNH2 | |
| SCHEMBL6648269 | 0.77 | KMT2A (0.46) | ALDH1A1POLBKMT2ATLR8KCNH2 | |
| SCHEMBL6651433 | 0.73 | KMT2A (0.43) | ALDH1A1POLBKMT2ATLR8 | |
| SCHEMBL5655366 | 0.72 | ALDH1A1 (0.59) | ALDH1A1POLBKMT2ATLR8KCNH2 | |
| SCHEMBL28748507 | 0.72 | ALDH1A1 (0.56) | ALDH1A1POLBKMT2ATLR8AGTR1 | |
| SCHEMBL329466 | 0.71 | ALDH1A1 (0.63) | ALDH1A1POLBKMT2ATLR8KCNH2 | |
| SCHEMBL9935809 | 0.71 | ALDH1A1 (0.63) | ALDH1A1POLBKMT2ATLR8KCNH2 |
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 |