Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5166963 | 0.96 | TRPA1 (0.45) | TRPA1MTNR1APTGESKDM4EALDH1A1 | |
| SCHEMBL3897112 | 0.79 | L3MBTL1 (0.43) | TRPA1MTNR1APTGESKDM4EALDH1A1 | |
| SCHEMBL3900395 | 0.78 | PTGDR2 (0.44) | TRPA1MTNR1APTGESKDM4EALDH1A1 | |
| SCHEMBL3900680 | 0.78 | HTT (0.61) | PTGESALDH1A1HPGDAKR1C3AKR1C2 | |
| SCHEMBL5164363 | 0.77 | HTT (0.59) | ALDH1A1CYP3A4HPGDAKR1C3HTT | |
| SCHEMBL13696701 | 0.76 | PTGES (0.42) | TRPA1MTNR1APTGESKDM4EALDH1A1 | |
| SCHEMBL5164271 | 0.75 | KDM4E (0.47) | TRPA1MTNR1APTGESKDM4EALDH1A1 | |
| SCHEMBL17748392 | 0.74 | HTT (0.37) | ALDH1A1CYP3A4HPGDAKR1C3AKR1C2 | |
| SCHEMBL17748389 | 0.74 | TRPA1 (0.44) | TRPA1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL5163415 | 0.73 | NDUFS8 (0.47) | MTNR1AKDM4EALDH1A1HPGDHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1768945-A1 | SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES | Riemser Arzneimittel AG (DE) | 2007-04-04 | — | — | EP | claimed |
| WO-2006003010-A1 | SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES | RIEMSER ARZNEIMITTEL AG (DE) | 2006-01-12 | — | — | WO | claimed |