Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.56 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.56 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.56 |
| ▸ | ALB | P02768 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | RARB | P10826 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.56 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.56 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL25146595 | 0.94 | PTGS1 (0.51) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL452233 | 0.83 | PTGS1 (0.60) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL27959311 | 0.83 | PTGS1 (0.60) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL21064585 | 0.81 | PTGS1 (0.57) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL991285 | 0.81 | PTGS1 (0.53) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| Hydrogen Peroxide SCHEMBL9581174 | 0.80 | PTGS1 (0.64) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL10749673 | 0.79 | PTGS1 (0.51) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL10749676 | 0.79 | PTGS1 (0.51) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL18761579 | 0.79 | PTGS1 (0.55) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL585471 | 0.79 | LMNA (0.64) | PTGS1PTGS2LMNACYP2C9AKR1C3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111056890-A | Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis | 湘潭大学 | 2020-04-24 | — | — | CN | claimed |
| CN-115403459-A | Preparation method of 1, 4-dicarbonyl compound | 广州自远生物科技有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-111056890-B | Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis | 湘潭大学 | 2022-10-14 | — | — | CN | disclosed |
| CN-111056890-A | Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis | 湘潭大学 | 2020-04-24 | — | — | CN | disclosed |
| US-4096279-A | Ethynylbenzene compounds and derivatives thereof in the treatment of pain fever and inflammation | WILLIAM H. RORER, INC. (US) | 1978-06-20 | — | — | US | disclosed |