Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.66 |
| ▸ | FFAR1 | O14842 | 8/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.54 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.54 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.54 |
| ▸ | ALB | P02768 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | RARB | P10826 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.54 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Phenyl Propionic Acid SCHEMBL23581098 | 1.00 | KEAP1 (0.66) | KEAP1FFAR1PTGS2PTGS1LMNA | |
| Phenylbutanoic Acid SCHEMBL31534033 | 0.90 | SMN1; SMN2 (0.68) | KEAP1FFAR1PTGS2LMNATSHR | |
| SCHEMBL29282178 | 0.87 | KEAP1 (0.49) | KEAP1FFAR1PTGS2PTGS1LMNA | |
| Phenyl Propionic Acid SCHEMBL9367561 | 0.84 | KEAP1 (0.68) | KEAP1FFAR1LMNAHDAC3MAPK1 | |
| Phenyl Propionic Acid SCHEMBL10636725 | 0.83 | KEAP1 (0.79) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenyl Propionic Acid SCHEMBL7409966 | 0.83 | KEAP1 (0.66) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| SCHEMBL9074425 | 0.82 | ALDH1A1 (0.55) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenylacetic Acid SCHEMBL944275 | 0.82 | AKR1B1 (0.63) | FFAR1PTGS2PTGS1LMNACYP2C9 | |
| Phenyl Propionic Acid SCHEMBL9818480 | 0.82 | KEAP1 (0.76) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Butylbenzyl SCHEMBL28123906 | 0.81 | PTGS2 (0.51) | PTGS2PTGS1LMNACYP2C9AKR1C3 |
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-0630261-A4 | NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS. | AUSTRALIAN COMMERCIAL RESEARCH (AU) | 1996-11-06 | — | — | EP | disclosed |
| EP-0630261-A1 | NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS | AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) | 1994-12-28 | — | — | EP | disclosed |
| WO-1993017711-A1 | NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS | AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) | 1993-09-16 | — | — | WO | disclosed |